1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;tricyclo[5.2.1.02,6]decane

C113H204 — CID 159041976

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;tricyclo[5.2.1.02,6]decane

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;tricyclo[5.2.1.02,6]decane (PubChem CID 159041976) has the molecular formula C113H204 and a molecular weight of 1562.88 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;tricyclo[5.2.1.02,6]decane.

Molecular Properties

• Compound Name: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;tricyclo[5.2.1.02,6]decane
• PubChem CID: 159041976
• Molecular Formula: C113H204
• Molecular Weight: 1562.88 g/mol
• Exact Mass: 1561.60
• IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;tricyclo[5.2.1.02,6]decane
• SMILES: C1C2CC3CC1CC(C2)C3.C1CC1.C1CC2C3CCC(C3)C2C1.C1CC2CCC1C2.C1CCC1.C1CCC2C(C1)CCC1C3CCCC3CCC21.C1CCC2C(C1)CCC1CCCCC12.C1CCC2CCCCC2C1.C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCCCCCC1.C1CCCCCCCCCCC1
• InChI: InChI=1S/C17H28.C14H24.C12H24.2C10H16.C10H18.C8H16.C7H12.C7H14.C6H12.C5H10.C4H8.C3H6/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-4-6-8-10-12-11-9-7-5-3-1;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/h12-17H,1-11H2;11-14H,1-10H2;1-12H2;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
• InChIKey: JWEDREMHVHYZRQ-UHFFFAOYSA-N
• XLogP: 38.21
• TPSA: 0.00 Ų
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1562.88
LogP ≤ 5	38.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;tricyclo[5.2.1.02,6]decane?

The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;tricyclo[5.2.1.02,6]decane (CID 159041976) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;tricyclo[5.2.1.02,6]decane.

What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;tricyclo[5.2.1.02,6]decane?

The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;tricyclo[5.2.1.02,6]decane is C1C2CC3CC1CC(C2)C3.C1CC1.C1CC2C3CCC(C3)C2C1.C1CC2CCC1C2.C1CCC1.C1CCC2C(C1)CCC1C3CCCC3CCC21.C1CCC2C(C1)CCC1CCCCC12.C1CCC2CCCCC2C1.C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCCCCCC1.C1CCCCCCCCCCC1.

What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;tricyclo[5.2.1.02,6]decane?

The InChIKey is JWEDREMHVHYZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28.C14H24.C12H24.2C10H16.C10H18.C8H16.C7H12.C7H14.C6H12.C5H10.C4H8.C3H6/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-4-6-8-10-12-11-9-7-5-3-1;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/h12-17H,1-11H2;11-14H,1-10H2;1-12H2;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;1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;tricyclo[5.2.1.02,6]decane?

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;tricyclo[5.2.1.02,6]decane has a molecular weight of 1562.88 g/mol, XLogP of 38.21, 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;1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 159041976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).