4-(cyclohexen-1-yl)-4-methyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-ol

C15H24O — CID 134192898

IUPAC4-(cyclohexen-1-yl)-4-methyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-ol
SMILESCC1(C2=CCCCC2)CCC2C(O)CCC21
InChIInChI=1S/C15H24O/c1-15(11-5-3-2-4-6-11)10-9-12-13(15)7-8-14(12)16/h5,12-14,16H,2-4,6-10H2,1H3
InChIKeyZVIZQNQJXZXMBM-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.67
Rot. Bonds1

About 4-(cyclohexen-1-yl)-4-methyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-ol

4-(cyclohexen-1-yl)-4-methyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-ol (PubChem CID 134192898) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-4-methyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-ol.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-4-methyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-ol
PubChem CID134192898
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4-(cyclohexen-1-yl)-4-methyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-ol
SMILESCC1(C2=CCCCC2)CCC2C(O)CCC21
InChIInChI=1S/C15H24O/c1-15(11-5-3-2-4-6-11)10-9-12-13(15)7-8-14(12)16/h5,12-14,16H,2-4,6-10H2,1H3
InChIKeyZVIZQNQJXZXMBM-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(cyclohexen-1-yl)-4-methyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-ol with MolForge

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Related Compounds

(8S,9R,10R,13S,14R,17R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 124911550
8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol
CID 11194541
(8R,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16,17-diol
CID 25112725
(8S,9S,10R,13S,14R)-10-methyl-1,2,3,6,7,8,9,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CID 141221987
(8R,9R,10R,13S,14S)-10,13,16,16-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol
CID 69330674
8a-methyl-2,2a,3,5,6,7,8,8b-octahydro-1H-cyclobuta[a]naphthalene
CID 143187513
1-(cyclohexen-1-yl)-4,4-dimethylcyclohexan-1-ol
CID 106651138
(8R,9S,10R,13S,14S)-17-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
CID 152652399
(8R,9S,10R,13S,14S,16R,17R)-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 70359558
(8R,9S,10R,13S,14S,16R,17S)-16-fluoro-13-(hydroxymethyl)-10-methyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 67024797
(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-amine
CID 69493643
(10aR)-10a,12a-dimethyl-1,2,3,4,4a,4b,5,7,8,9,10,10b,11,12-tetradecahydrochrysene
CID 142186693

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-4-methyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-ol?
The IUPAC name of 4-(cyclohexen-1-yl)-4-methyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-ol (CID 134192898) is 4-(cyclohexen-1-yl)-4-methyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-ol.
What is the SMILES notation for 4-(cyclohexen-1-yl)-4-methyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-ol?
The canonical SMILES for 4-(cyclohexen-1-yl)-4-methyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-ol is CC1(C2=CCCCC2)CCC2C(O)CCC21.
What is the InChIKey of 4-(cyclohexen-1-yl)-4-methyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-ol?
The InChIKey is ZVIZQNQJXZXMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-15(11-5-3-2-4-6-11)10-9-12-13(15)7-8-14(12)16/h5,12-14,16H,2-4,6-10H2,1H3.
What are the key properties of 4-(cyclohexen-1-yl)-4-methyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-ol?
4-(cyclohexen-1-yl)-4-methyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-ol has a molecular weight of 220.36 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-4-methyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-ol is sourced from PubChem (CID 134192898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).