3,3-dimethyl-2-[(Z)-3-methylhex-3-enyl]cyclopentan-1-ol;propane

C17H34O — CID 142946638

IUPAC3,3-dimethyl-2-[(Z)-3-methylhex-3-enyl]cyclopentan-1-ol;propane
SMILESCC/C=C(/C)CCC1C(O)CCC1(C)C.CCC
InChIInChI=1S/C14H26O.C3H8/c1-5-6-11(2)7-8-12-13(15)9-10-14(12,3)4;1-3-2/h6,12-13,15H,5,7-10H2,1-4H3;3H2,1-2H3/b11-6-;
InChIKeyZFPCIWMROBHVKW-AVHZNCSWSA-N
MW254.46 g/mol
LogP5.34
Rot. Bonds4

About 3,3-dimethyl-2-[(Z)-3-methylhex-3-enyl]cyclopentan-1-ol;propane

3,3-dimethyl-2-[(Z)-3-methylhex-3-enyl]cyclopentan-1-ol;propane (PubChem CID 142946638) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 3,3-dimethyl-2-[(Z)-3-methylhex-3-enyl]cyclopentan-1-ol;propane.

Molecular Properties

Compound Name3,3-dimethyl-2-[(Z)-3-methylhex-3-enyl]cyclopentan-1-ol;propane
PubChem CID142946638
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name3,3-dimethyl-2-[(Z)-3-methylhex-3-enyl]cyclopentan-1-ol;propane
SMILESCC/C=C(/C)CCC1C(O)CCC1(C)C.CCC
InChIInChI=1S/C14H26O.C3H8/c1-5-6-11(2)7-8-12-13(15)9-10-14(12,3)4;1-3-2/h6,12-13,15H,5,7-10H2,1-4H3;3H2,1-2H3/b11-6-;
InChIKeyZFPCIWMROBHVKW-AVHZNCSWSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-2-[(Z)-3-methylhex-3-enyl]cyclopentan-1-ol;propane 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

(1R,2S,4aS,8aS)-1-[(E)-5-hydroxy-3-methylpent-3-enyl]-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-ol
CID 15452483
1,1,2-trimethyl-5-(3-methylhex-3-enyl)cyclopentane
CID 141208854
4-[(1S,5S)-5-tert-butyl-2,2-dimethylcyclopentyl]butan-2-one
CID 102363621
3,3,5-trimethyl-4-(3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)cyclohexene
CID 163192672
(Z)-5-[(1R,2R,4aR,8aR)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-2-en-1-ol
CID 124521290
(1R,4aS,5R,6S)-1,5,6-trimethyl-5-[(E)-3-methylhex-3-enyl]-2,3,4,4a,6,7-hexahydro-1H-naphthalene;ethane;propane
CID 144767743
cis-(1R,2R)-3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol
CID 11218600
(Z)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-en-1-ol
CID 163006051
(2S)-2-hydroxy-3-[(2R,6R)-6-hydroxy-5-[(E)-4-methyl-6-(2,2,6-trimethylcyclohexyl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one
CID 71595571
ethane;(E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-2-en-1-ol
CID 176716265
3,3-dimethylcyclopentane-1,2-diol
CID 22245615
[3,7-dimethyl-9-(2,2,6-trimethylcyclohexyl)nona-2,6-dienyl] octadeca-9,12,15-trienoate
CID 162890606

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[(Z)-3-methylhex-3-enyl]cyclopentan-1-ol;propane?
The IUPAC name of 3,3-dimethyl-2-[(Z)-3-methylhex-3-enyl]cyclopentan-1-ol;propane (CID 142946638) is 3,3-dimethyl-2-[(Z)-3-methylhex-3-enyl]cyclopentan-1-ol;propane.
What is the SMILES notation for 3,3-dimethyl-2-[(Z)-3-methylhex-3-enyl]cyclopentan-1-ol;propane?
The canonical SMILES for 3,3-dimethyl-2-[(Z)-3-methylhex-3-enyl]cyclopentan-1-ol;propane is CC/C=C(/C)CCC1C(O)CCC1(C)C.CCC.
What is the InChIKey of 3,3-dimethyl-2-[(Z)-3-methylhex-3-enyl]cyclopentan-1-ol;propane?
The InChIKey is ZFPCIWMROBHVKW-AVHZNCSWSA-N. The full InChI is InChI=1S/C14H26O.C3H8/c1-5-6-11(2)7-8-12-13(15)9-10-14(12,3)4;1-3-2/h6,12-13,15H,5,7-10H2,1-4H3;3H2,1-2H3/b11-6-;.
What are the key properties of 3,3-dimethyl-2-[(Z)-3-methylhex-3-enyl]cyclopentan-1-ol;propane?
3,3-dimethyl-2-[(Z)-3-methylhex-3-enyl]cyclopentan-1-ol;propane has a molecular weight of 254.46 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[(Z)-3-methylhex-3-enyl]cyclopentan-1-ol;propane is sourced from PubChem (CID 142946638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).