7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene

C15H24 — CID 15094

IUPAC7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
SMILESC=C1CCC(C(C)C)C2C=C(C)CCC12
InChIInChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3
InChIKeyWRHGORWNJGOVQY-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.58
Rot. Bonds1

About 7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene

7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene (PubChem CID 15094) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene.

Molecular Properties

Compound Name7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
PubChem CID15094
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
SMILESC=C1CCC(C(C)C)C2C=C(C)CCC12
InChIInChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3
InChIKeyWRHGORWNJGOVQY-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
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
beta-Cadinene
CID 10657
delta-Cadinene
CID 441005
Alpha-muurolene, (-)-
CID 12306047
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
p-Menth-1-ene
CID 21671
Thujopsene
CID 442402
2-Isopropenyl-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
CID 10123
alpha-Selinene
CID 10856614
Amorpha-4,11-diene
CID 11052747
4a,5-Dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 288227
gamma-Cadinene
CID 6432404

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene?
The IUPAC name of 7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene (CID 15094) is 7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene.
What is the SMILES notation for 7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene?
The canonical SMILES for 7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene is C=C1CCC(C(C)C)C2C=C(C)CCC12.
What is the InChIKey of 7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene?
The InChIKey is WRHGORWNJGOVQY-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/h9-10,13-15H,4-8H2,1-3H3.
What are the key properties of 7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene?
7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene has a molecular weight of 204.36 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene is sourced from PubChem (CID 15094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).