1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane;tricyclo[6.2.1.02,7]undecane

C105H188 — CID 162061735

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane;tricyclo[6.2.1.02,7]undecane
SMILESC1C2CC3CC1CC(C2)C3.C1CC1.C1CC2C3CCC(C3)C2C1.C1CC2CC1C1C3CCC(C3)C21.C1CC2CCC1C2.C1CCC1.C1CCC2C3CCC(C3)C2C1.C1CCC2CCCCC2C1.C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCCCCCC1.C1CCCCCCCCCCC1
InChIInChI=1S/C12H18.C12H24.C11H18.2C10H16.C10H18.C8H16.C7H12.C7H14.C6H12.C5H10.C4H8.C3H6/c1-2-8-5-7(1)11-9-3-4-10(6-9)12(8)11;1-2-4-6-8-10-12-11-9-7-5-3-1;1-2-4-11-9-6-5-8(7-9)10(11)3-1;1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-9-7-4-5-8(6-7)10(9)3-1;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-8-7-5-3-1;1-2-7-4-3-6(1)5-7;1-2-4-6-7-5-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-4-3-1;1-2-3-1/h7-12H,1-6H2;1-12H2;8-11H,1-7H2;2*7-10H,1-6H2;9-10H,1-8H2;1-8H2;6-7H,1-5H2;1-7H2;1-6H2;1-5H2;1-4H2;1-3H2
InChIKeyYZXXJZPKZZVMNI-UHFFFAOYSA-N
MW1450.66 g/mol
LogP35.08
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane;tricyclo[6.2.1.02,7]undecane

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane;tricyclo[6.2.1.02,7]undecane (PubChem CID 162061735) has the molecular formula C105H188 and a molecular weight of 1450.66 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane;tricyclo[6.2.1.02,7]undecane.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane;tricyclo[6.2.1.02,7]undecane
PubChem CID162061735
Molecular FormulaC105H188
Molecular Weight1450.66 g/mol
Exact Mass1449.47
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane;tricyclo[6.2.1.02,7]undecane
SMILESC1C2CC3CC1CC(C2)C3.C1CC1.C1CC2C3CCC(C3)C2C1.C1CC2CC1C1C3CCC(C3)C21.C1CC2CCC1C2.C1CCC1.C1CCC2C3CCC(C3)C2C1.C1CCC2CCCCC2C1.C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCCCCCC1.C1CCCCCCCCCCC1
InChIInChI=1S/C12H18.C12H24.C11H18.2C10H16.C10H18.C8H16.C7H12.C7H14.C6H12.C5H10.C4H8.C3H6/c1-2-8-5-7(1)11-9-3-4-10(6-9)12(8)11;1-2-4-6-8-10-12-11-9-7-5-3-1;1-2-4-11-9-6-5-8(7-9)10(11)3-1;1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-9-7-4-5-8(6-7)10(9)3-1;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-8-7-5-3-1;1-2-7-4-3-6(1)5-7;1-2-4-6-7-5-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-4-3-1;1-2-3-1/h7-12H,1-6H2;1-12H2;8-11H,1-7H2;2*7-10H,1-6H2;9-10H,1-8H2;1-8H2;6-7H,1-5H2;1-7H2;1-6H2;1-5H2;1-4H2;1-3H2
InChIKeyYZXXJZPKZZVMNI-UHFFFAOYSA-N
XLogP35.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001450.66
LogP ≤ 535.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Analyze 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane;tricyclo[6.2.1.02,7]undecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane;tricyclo[6.2.1.02,7]undecane?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane;tricyclo[6.2.1.02,7]undecane (CID 162061735) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane;tricyclo[6.2.1.02,7]undecane.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane;tricyclo[6.2.1.02,7]undecane?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane;tricyclo[6.2.1.02,7]undecane is C1C2CC3CC1CC(C2)C3.C1CC1.C1CC2C3CCC(C3)C2C1.C1CC2CC1C1C3CCC(C3)C21.C1CC2CCC1C2.C1CCC1.C1CCC2C3CCC(C3)C2C1.C1CCC2CCCCC2C1.C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCCCCCC1.C1CCCCCCCCCCC1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane;tricyclo[6.2.1.02,7]undecane?
The InChIKey is YZXXJZPKZZVMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C12H24.C11H18.2C10H16.C10H18.C8H16.C7H12.C7H14.C6H12.C5H10.C4H8.C3H6/c1-2-8-5-7(1)11-9-3-4-10(6-9)12(8)11;1-2-4-6-8-10-12-11-9-7-5-3-1;1-2-4-11-9-6-5-8(7-9)10(11)3-1;1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-9-7-4-5-8(6-7)10(9)3-1;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-8-7-5-3-1;1-2-7-4-3-6(1)5-7;1-2-4-6-7-5-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-4-3-1;1-2-3-1/h7-12H,1-6H2;1-12H2;8-11H,1-7H2;2*7-10H,1-6H2;9-10H,1-8H2;1-8H2;6-7H,1-5H2;1-7H2;1-6H2;1-5H2;1-4H2;1-3H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane;tricyclo[6.2.1.02,7]undecane?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane;tricyclo[6.2.1.02,7]undecane has a molecular weight of 1450.66 g/mol, XLogP of 35.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane;tricyclo[6.2.1.02,7]undecane is sourced from PubChem (CID 162061735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).