1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ol

C15H24O — CID 22297762

IUPAC1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ol
SMILESC=C(C)C1C=C2C(C)(O)CCCC2(C)CC1
InChIInChI=1S/C15H24O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h10,12,16H,1,5-9H2,2-4H3
InChIKeyNZGMCTHRDPVWIP-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.84
Rot. Bonds1

About 1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ol

1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ol (PubChem CID 22297762) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ol.

Molecular Properties

Compound Name1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ol
PubChem CID22297762
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ol
SMILESC=C(C)C1C=C2C(C)(O)CCCC2(C)CC1
InChIInChI=1S/C15H24O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h10,12,16H,1,5-9H2,2-4H3
InChIKeyNZGMCTHRDPVWIP-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Alpha-eudesmol
CID 92762
1,2,3,4,4a,5,6,7-Octahydro-2,5,5-trimethyl-2-naphthalenol
CID 162452
beta-Nootkatol
CID 182645
2-Naphthalenemethanol, 1,2,3,4,4a,5,6,8a-octahydro-alpha,alpha,4a,8-tetramethyl-, (2R-(2alpha,4aalpha,8abeta))-
CID 5317269
1-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-
CID 86752
Valerianol
CID 9859337
1,2,3,4,6,7,8,8a-Octahydro-alpha,alpha,8,8a-tetramethyl-2-naphthalenemethanol
CID 146808
1,2,3,4,4a,5,6,8a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-naphthalenol
CID 527220
Rosifoliol
CID 527256
7-epi-alpha-Eudesmol
CID 12304196
18-Deoxysagittarol
CID 12305526
alpha-Nootkatol
CID 9815881

Frequently Asked Questions

What is the IUPAC name of 1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ol?
The IUPAC name of 1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ol (CID 22297762) is 1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ol.
What is the SMILES notation for 1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ol?
The canonical SMILES for 1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ol is C=C(C)C1C=C2C(C)(O)CCCC2(C)CC1.
What is the InChIKey of 1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ol?
The InChIKey is NZGMCTHRDPVWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h10,12,16H,1,5-9H2,2-4H3.
What are the key properties of 1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ol?
1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ol has a molecular weight of 220.36 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ol is sourced from PubChem (CID 22297762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).