1,2,3,4,4a,5,6,8a-octahydronaphthalene

C10H16 — CID 565677

IUPAC1,2,3,4,4a,5,6,8a-octahydronaphthalene
SMILESC1=CC2CCCCC2CC1
InChIInChI=1S/C10H16/c1-2-6-10-8-4-3-7-9(10)5-1/h1,5,9-10H,2-4,6-8H2
InChIKeyFYHNWJNOEQBNGO-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.14
Rot. Bonds

About 1,2,3,4,4a,5,6,8a-octahydronaphthalene

1,2,3,4,4a,5,6,8a-octahydronaphthalene (PubChem CID 565677) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,8a-octahydronaphthalene.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,8a-octahydronaphthalene
PubChem CID565677
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1,2,3,4,4a,5,6,8a-octahydronaphthalene
SMILESC1=CC2CCCCC2CC1
InChIInChI=1S/C10H16/c1-2-6-10-8-4-3-7-9(10)5-1/h1,5,9-10H,2-4,6-8H2
InChIKeyFYHNWJNOEQBNGO-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

delta-Cadinene
CID 441005
Alpha-muurolene, (-)-
CID 12306047
Amorpha-4,11-diene
CID 11052747
gamma-Cadinene
CID 6432404
(+)-5-Epi-Aristolochene
CID 5460659
(-)-delta-Cadinene
CID 12306055
3,7(11)-Eudesmadiene
CID 522296
alpha-Cadinene, (+)-
CID 12306048
gamma-Muurolene
CID 12313020
Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)-
CID 10223
(-)-gamma-Cadinene
CID 92313
1,2,4a,5,6,8a-Hexahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene
CID 101708

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The IUPAC name of 1,2,3,4,4a,5,6,8a-octahydronaphthalene (CID 565677) is 1,2,3,4,4a,5,6,8a-octahydronaphthalene.
What is the SMILES notation for 1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The canonical SMILES for 1,2,3,4,4a,5,6,8a-octahydronaphthalene is C1=CC2CCCCC2CC1.
What is the InChIKey of 1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The InChIKey is FYHNWJNOEQBNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-2-6-10-8-4-3-7-9(10)5-1/h1,5,9-10H,2-4,6-8H2.
What are the key properties of 1,2,3,4,4a,5,6,8a-octahydronaphthalene?
1,2,3,4,4a,5,6,8a-octahydronaphthalene has a molecular weight of 136.24 g/mol, XLogP of 3.14, 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,5,6,8a-octahydronaphthalene is sourced from PubChem (CID 565677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).