1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;bis(cyclohexa-1,3-diene);cyclohexane;cyclohexene;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indene;methane;naphthalene;bis(1,2,3,4-tetrahydronaphthalene)

C₁₃₃H₂₅₆ — CID 158825040

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;bis(cyclohexa-1,3-diene);cyclohexane;cyclohexene;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indene;methane;naphthalene;bis(1,2,3,4-tetrahydronaphthalene)

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;bis(cyclohexa-1,3-diene);cyclohexane;cyclohexene;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indene;methane;naphthalene;bis(1,2,3,4-tetrahydronaphthalene) (PubChem CID 158825040) has the molecular formula C₁₃₃H₂₅₆ and a molecular weight of 1855.51 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;bis(cyclohexa-1,3-diene);cyclohexane;cyclohexene;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indene;methane;naphthalene;bis(1,2,3,4-tetrahydronaphthalene).

Molecular Properties

• Compound Name: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;bis(cyclohexa-1,3-diene);cyclohexane;cyclohexene;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indene;methane;naphthalene;bis(1,2,3,4-tetrahydronaphthalene)
• PubChem CID: 158825040
• Molecular Formula: C₁₃₃H₂₅₆
• Molecular Weight: 1855.51 g/mol
• Exact Mass: 1854.00
• IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;bis(cyclohexa-1,3-diene);cyclohexane;cyclohexene;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indene;methane;naphthalene;bis(1,2,3,4-tetrahydronaphthalene)
• SMILES: C.C.C1=CCCC=C1.C1=CCCC=C1.C1=CCCCC1.C1=Cc2ccccc2C1.C1CCC2CCCCC2C1.C1CCCC1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2ccccc2c1
• InChI: InChI=1S/C10H18.2C10H12.C10H8.C9H10.C9H8.C6H12.C6H10.2C6H8.C5H10.22C2H6.2CH4/c4*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-5-9-7-3-6-8(9)4-1;4*1-2-4-6-5-3-1;1-2-4-5-3-1;22*1-2;;/h9-10H,1-8H2;2*1-2,5-6H,3-4,7-8H2;1-8H;1-2,4-5H,3,6-7H2;1-6H,7H2;1-6H2;1-2H,3-6H2;2*1-4H,5-6H2;1-5H2;22*1-2H3;2*1H4
• InChIKey: IWISFHHWUFYRFR-UHFFFAOYSA-N
• XLogP: 49.81
• TPSA: 0.00 Ų
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1855.51
LogP ≤ 5	49.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;bis(cyclohexa-1,3-diene);cyclohexane;cyclohexene;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indene;methane;naphthalene;bis(1,2,3,4-tetrahydronaphthalene)?

The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;bis(cyclohexa-1,3-diene);cyclohexane;cyclohexene;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indene;methane;naphthalene;bis(1,2,3,4-tetrahydronaphthalene) (CID 158825040) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;bis(cyclohexa-1,3-diene);cyclohexane;cyclohexene;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indene;methane;naphthalene;bis(1,2,3,4-tetrahydronaphthalene).

What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;bis(cyclohexa-1,3-diene);cyclohexane;cyclohexene;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indene;methane;naphthalene;bis(1,2,3,4-tetrahydronaphthalene)?

The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;bis(cyclohexa-1,3-diene);cyclohexane;cyclohexene;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indene;methane;naphthalene;bis(1,2,3,4-tetrahydronaphthalene) is C.C.C1=CCCC=C1.C1=CCCC=C1.C1=CCCCC1.C1=Cc2ccccc2C1.C1CCC2CCCCC2C1.C1CCCC1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2ccccc2c1.

What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;bis(cyclohexa-1,3-diene);cyclohexane;cyclohexene;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indene;methane;naphthalene;bis(1,2,3,4-tetrahydronaphthalene)?

The InChIKey is IWISFHHWUFYRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.2C10H12.C10H8.C9H10.C9H8.C6H12.C6H10.2C6H8.C5H10.22C2H6.2CH4/c4*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-5-9-7-3-6-8(9)4-1;4*1-2-4-6-5-3-1;1-2-4-5-3-1;22*1-2;;/h9-10H,1-8H2;2*1-2,5-6H,3-4,7-8H2;1-8H;1-2,4-5H,3,6-7H2;1-6H,7H2;1-6H2;1-2H,3-6H2;2*1-4H,5-6H2;1-5H2;22*1-2H3;2*1H4.

What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;bis(cyclohexa-1,3-diene);cyclohexane;cyclohexene;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indene;methane;naphthalene;bis(1,2,3,4-tetrahydronaphthalene)?

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;bis(cyclohexa-1,3-diene);cyclohexane;cyclohexene;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indene;methane;naphthalene;bis(1,2,3,4-tetrahydronaphthalene) has a molecular weight of 1855.51 g/mol, XLogP of 49.81, 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;bis(cyclohexa-1,3-diene);cyclohexane;cyclohexene;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indene;methane;naphthalene;bis(1,2,3,4-tetrahydronaphthalene) is sourced from PubChem (CID 158825040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158825040 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.