2,5-dimethyl-8-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene

C15H24 — CID 91747915

IUPAC2,5-dimethyl-8-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene
SMILESCC1=C2CCC(C)CC2=C(C(C)C)CC1
InChIInChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10-11H,5-9H2,1-4H3
InChIKeyKBMTZMXTAFFCCM-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.87
Rot. Bonds1

About 2,5-dimethyl-8-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene

2,5-dimethyl-8-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene (PubChem CID 91747915) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2,5-dimethyl-8-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene.

Molecular Properties

Compound Name2,5-dimethyl-8-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene
PubChem CID91747915
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name2,5-dimethyl-8-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene
SMILESCC1=C2CCC(C)CC2=C(C(C)C)CC1
InChIInChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10-11H,5-9H2,1-4H3
InChIKeyKBMTZMXTAFFCCM-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-methyl-1,2-di(propan-2-yl)cyclopentene
CID 140883778
bis(2-fluoro-1,4-dimethylcyclohexene);methane
CID 160664203
1,3-dimethyl-2,4-di(propan-2-yl)cyclohexa-1,3-diene
CID 164990673
1,2,4-tri(propan-2-yl)cyclohexene
CID 177269639
(2R)-2-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydroanthracene-9,10-dione
CID 102436390
8-methyl-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene
CID 177327707
2,3,5-trimethylcyclohept-2-en-1-one
CID 142093002
6-fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol
CID 172586012
2,4-dimethylcyclohexene-1-carbaldehyde
CID 23505473
(3Z)-1-methyl-3-(3-methylpentan-2-ylidene)cyclopentane
CID 147603807
1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylcyclohexene
CID 142844577
5-methyl-2-propan-2-ylcyclopentene-1-thiol
CID 45095992

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-8-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene?
The IUPAC name of 2,5-dimethyl-8-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene (CID 91747915) is 2,5-dimethyl-8-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene.
What is the SMILES notation for 2,5-dimethyl-8-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene?
The canonical SMILES for 2,5-dimethyl-8-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene is CC1=C2CCC(C)CC2=C(C(C)C)CC1.
What is the InChIKey of 2,5-dimethyl-8-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene?
The InChIKey is KBMTZMXTAFFCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10-11H,5-9H2,1-4H3.
What are the key properties of 2,5-dimethyl-8-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene?
2,5-dimethyl-8-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene has a molecular weight of 204.36 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-8-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene is sourced from PubChem (CID 91747915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).