(Z,3S)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-ol

C14H24O — CID 125183462

IUPAC(Z,3S)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-ol
SMILESCC[C@H](O)/C=C\[C@H]1C(C)=CCCC1(C)C
InChIInChI=1S/C14H24O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,12-13,15H,5-6,10H2,1-4H3/b9-8-/t12-,13-/m0/s1
InChIKeyWALHLZRJZMVZCZ-MYSQMOAQSA-N
MW208.34 g/mol
LogP3.70
Rot. Bonds3

About (Z,3S)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-ol

(Z,3S)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-ol (PubChem CID 125183462) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (Z,3S)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-ol.

Molecular Properties

Compound Name(Z,3S)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-ol
PubChem CID125183462
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(Z,3S)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-ol
SMILESCC[C@H](O)/C=C\[C@H]1C(C)=CCCC1(C)C
InChIInChI=1S/C14H24O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,12-13,15H,5-6,10H2,1-4H3/b9-8-/t12-,13-/m0/s1
InChIKeyWALHLZRJZMVZCZ-MYSQMOAQSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z,3S)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-ol with MolForge

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Related Compounds

(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-ene-2-thiol
CID 21388154
6-[(E)-but-1-enyl]-1,5,5-trimethylcyclohexene
CID 13329038
6-(3-methoxybut-1-enyl)-1,5,5-trimethylcyclohexene
CID 54139758
1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one
CID 57134465
6-[(E)-3-methoxybut-1-enyl]-1,5,5-trimethylcyclohexene;methoxymethane
CID 70502775
6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-en-3-one
CID 54456992
dimethyl-prop-2-enyl-[4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium
CID 54537776
2-[(2,6,6-trimethylcyclohex-2-en-1-yl)methylidene]hexanoic acid
CID 66632011
(E)-5-(dimethylamino)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
CID 117068084
(E)-5-cyclopropyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
CID 23539746
bis[3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-1,4-dienoxy]-oxophosphanium
CID 174755153
1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
CID 152743365

Frequently Asked Questions

What is the IUPAC name of (Z,3S)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-ol?
The IUPAC name of (Z,3S)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-ol (CID 125183462) is (Z,3S)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-ol.
What is the SMILES notation for (Z,3S)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-ol?
The canonical SMILES for (Z,3S)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-ol is CC[C@H](O)/C=C\[C@H]1C(C)=CCCC1(C)C.
What is the InChIKey of (Z,3S)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-ol?
The InChIKey is WALHLZRJZMVZCZ-MYSQMOAQSA-N. The full InChI is InChI=1S/C14H24O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,12-13,15H,5-6,10H2,1-4H3/b9-8-/t12-,13-/m0/s1.
What are the key properties of (Z,3S)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-ol?
(Z,3S)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-ol has a molecular weight of 208.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-ol is sourced from PubChem (CID 125183462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).