1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane

C60H114 — CID 158726060

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
SMILESC1CC1.C1CC2CCCC2C1.C1CCC1.C1CCC2CCCC2C1.C1CCC2CCCCC2C1.C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCCCCCC1
InChIInChI=1S/C10H18.C9H16.C8H14.C8H16.C7H14.C6H12.C5H10.C4H8.C3H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;1-3-7-5-2-6-8(7)4-1;1-2-4-6-8-7-5-3-1;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/h9-10H,1-8H2;8-9H,1-7H2;7-8H,1-6H2;1-8H2;1-7H2;1-6H2;1-5H2;1-4H2;1-3H2
InChIKeyIKNBLKRJQWKLCM-UHFFFAOYSA-N
MW835.57 g/mol
LogP21.80
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane (PubChem CID 158726060) has the molecular formula C60H114 and a molecular weight of 835.57 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
PubChem CID158726060
Molecular FormulaC60H114
Molecular Weight835.57 g/mol
Exact Mass834.89
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
SMILESC1CC1.C1CC2CCCC2C1.C1CCC1.C1CCC2CCCC2C1.C1CCC2CCCCC2C1.C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCCCCCC1
InChIInChI=1S/C10H18.C9H16.C8H14.C8H16.C7H14.C6H12.C5H10.C4H8.C3H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;1-3-7-5-2-6-8(7)4-1;1-2-4-6-8-7-5-3-1;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/h9-10H,1-8H2;8-9H,1-7H2;7-8H,1-6H2;1-8H2;1-7H2;1-6H2;1-5H2;1-4H2;1-3H2
InChIKeyIKNBLKRJQWKLCM-UHFFFAOYSA-N
XLogP21.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.57
LogP ≤ 521.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane 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;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane (CID 158726060) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane is C1CC1.C1CC2CCCC2C1.C1CCC1.C1CCC2CCCC2C1.C1CCC2CCCCC2C1.C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCCCCCC1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane?
The InChIKey is IKNBLKRJQWKLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.C9H16.C8H14.C8H16.C7H14.C6H12.C5H10.C4H8.C3H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;1-3-7-5-2-6-8(7)4-1;1-2-4-6-8-7-5-3-1;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/h9-10H,1-8H2;8-9H,1-7H2;7-8H,1-6H2;1-8H2;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;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane has a molecular weight of 835.57 g/mol, XLogP of 21.80, 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;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane is sourced from PubChem (CID 158726060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).