1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene

C15H26 — CID 78298939

IUPAC1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
SMILESCC1C=CC2C(C)CCC(C(C)C)C2C1
InChIInChI=1S/C15H26/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,10-15H,6,8-9H2,1-4H3
InChIKeyHNTISMRTGMVWGH-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.52
Rot. Bonds1

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

1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene (PubChem CID 78298939) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene.

Molecular Properties

Compound Name1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
PubChem CID78298939
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
SMILESCC1C=CC2C(C)CCC(C(C)C)C2C1
InChIInChI=1S/C15H26/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,10-15H,6,8-9H2,1-4H3
InChIKeyHNTISMRTGMVWGH-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.52
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 1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The IUPAC name of 1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene (CID 78298939) is 1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene.
What is the SMILES notation for 1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The canonical SMILES for 1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene is CC1C=CC2C(C)CCC(C(C)C)C2C1.
What is the InChIKey of 1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The InChIKey is HNTISMRTGMVWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,10-15H,6,8-9H2,1-4H3.
What are the key properties of 1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene has a molecular weight of 206.37 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene is sourced from PubChem (CID 78298939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).