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)

C141H288 — CID 158482198

IUPAC1,2,3,4,4a,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)
SMILESC.C.C.C.C.C.C.C.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
InChIInChI=1S/C10H18.2C10H12.C10H8.C9H10.C9H8.C6H12.C6H10.2C6H8.C5H10.22C2H6.10CH4/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;10*1H4
InChIKeyHHQQBPVWSLCPKW-UHFFFAOYSA-N
MW1983.85 g/mol
LogP54.90
Rot. Bonds

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 158482198) has the molecular formula C141H288 and a molecular weight of 1983.85 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 Name1,2,3,4,4a,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 CID158482198
Molecular FormulaC141H288
Molecular Weight1983.85 g/mol
Exact Mass1982.25
IUPAC Name1,2,3,4,4a,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)
SMILESC.C.C.C.C.C.C.C.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
InChIInChI=1S/C10H18.2C10H12.C10H8.C9H10.C9H8.C6H12.C6H10.2C6H8.C5H10.22C2H6.10CH4/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;10*1H4
InChIKeyHHQQBPVWSLCPKW-UHFFFAOYSA-N
XLogP54.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001983.85
LogP ≤ 554.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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) 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;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 158482198) 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.C.C.C.C.C.C.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 HHQQBPVWSLCPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.2C10H12.C10H8.C9H10.C9H8.C6H12.C6H10.2C6H8.C5H10.22C2H6.10CH4/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;10*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 1983.85 g/mol, XLogP of 54.90, 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 158482198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).