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

C14H24 — CID 18715966

IUPAC1,2,3,4-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
SMILESCC1C(C)C(C)C2CC=CCC2C1C
InChIInChI=1S/C14H24/c1-9-10(2)12(4)14-8-6-5-7-13(14)11(9)3/h5-6,9-14H,7-8H2,1-4H3
InChIKeyYKGMHQOUSZLZJV-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.13
Rot. Bonds

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

1,2,3,4-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene (PubChem CID 18715966) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1,2,3,4-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene.

Molecular Properties

Compound Name1,2,3,4-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
PubChem CID18715966
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1,2,3,4-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
SMILESCC1C(C)C(C)C2CC=CCC2C1C
InChIInChI=1S/C14H24/c1-9-10(2)12(4)14-8-6-5-7-13(14)11(9)3/h5-6,9-14H,7-8H2,1-4H3
InChIKeyYKGMHQOUSZLZJV-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.13
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

Valencene
CID 9855795
delta-Cadinene
CID 441005
Alpha-muurolene, (-)-
CID 12306047
1,2,4-Trivinylcyclohexane
CID 96529
2-Isopropenyl-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
CID 10123
alpha-Selinene
CID 10856614
9beta-Pimara-7,15-diene
CID 10355909
(+)-5-Epi-Aristolochene
CID 5460659
Amorpha-4,11-diene
CID 11052747
1-epi-Bicyclosesquiphellandrene
CID 521496
3,7(11)-Eudesmadiene
CID 522296
gamma-Cadinene
CID 6432404

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
The IUPAC name of 1,2,3,4-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene (CID 18715966) is 1,2,3,4-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene.
What is the SMILES notation for 1,2,3,4-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
The canonical SMILES for 1,2,3,4-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene is CC1C(C)C(C)C2CC=CCC2C1C.
What is the InChIKey of 1,2,3,4-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
The InChIKey is YKGMHQOUSZLZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-9-10(2)12(4)14-8-6-5-7-13(14)11(9)3/h5-6,9-14H,7-8H2,1-4H3.
What are the key properties of 1,2,3,4-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
1,2,3,4-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene has a molecular weight of 192.35 g/mol, XLogP of 4.13, 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-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene is sourced from PubChem (CID 18715966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).