(E)-5-(6,6-dimethylcyclohexen-1-yl)pent-4-en-2-yn-1-ol

C13H18O — CID 166449533

IUPAC(E)-5-(6,6-dimethylcyclohexen-1-yl)pent-4-en-2-yn-1-ol
SMILESCC1(C)CCCC=C1/C=C/C#CCO
InChIInChI=1S/C13H18O/c1-13(2)10-6-5-9-12(13)8-4-3-7-11-14/h4,8-9,14H,5-6,10-11H2,1-2H3/b8-4+
InChIKeyULUKQKJQISQICC-XBXARRHUSA-N
MW190.29 g/mol
LogP2.67
Rot. Bonds1

About (E)-5-(6,6-dimethylcyclohexen-1-yl)pent-4-en-2-yn-1-ol

(E)-5-(6,6-dimethylcyclohexen-1-yl)pent-4-en-2-yn-1-ol (PubChem CID 166449533) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (E)-5-(6,6-dimethylcyclohexen-1-yl)pent-4-en-2-yn-1-ol.

Molecular Properties

Compound Name(E)-5-(6,6-dimethylcyclohexen-1-yl)pent-4-en-2-yn-1-ol
PubChem CID166449533
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(E)-5-(6,6-dimethylcyclohexen-1-yl)pent-4-en-2-yn-1-ol
SMILESCC1(C)CCCC=C1/C=C/C#CCO
InChIInChI=1S/C13H18O/c1-13(2)10-6-5-9-12(13)8-4-3-7-11-14/h4,8-9,14H,5-6,10-11H2,1-2H3/b8-4+
InChIKeyULUKQKJQISQICC-XBXARRHUSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-5-(6,6-dimethylcyclohexen-1-yl)pent-4-en-2-yn-1-ol with MolForge

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Related Compounds

(2E,4E)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-2,4-pentadiene-1-ol
CID 9964517
4,14-Retro-retinol
CID 5378255
beta-Ionylideneethanol
CID 53425840
(Z)-retro-alpha-Ionol
CID 11788800
(2Z,4E)-3-Methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-ol
CID 10443476
(4-Methyl-3-pentenyl)-3-cyclohexene-1-methanol
CID 69724529
alpha-Ionylideneethanol
CID 101705117
3-Butyn-2-ol, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
CID 11412849
Vitamin A Impurity 7
CID 71772281
2-Propen-1-ol, 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CID 5372931
4-(2,6,6-Trimethylcyclohex-2-en-1-ylidene)but-3-en-2-ol
CID 14109904
(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dien-1-ol
CID 14167239

Frequently Asked Questions

What is the IUPAC name of (E)-5-(6,6-dimethylcyclohexen-1-yl)pent-4-en-2-yn-1-ol?
The IUPAC name of (E)-5-(6,6-dimethylcyclohexen-1-yl)pent-4-en-2-yn-1-ol (CID 166449533) is (E)-5-(6,6-dimethylcyclohexen-1-yl)pent-4-en-2-yn-1-ol.
What is the SMILES notation for (E)-5-(6,6-dimethylcyclohexen-1-yl)pent-4-en-2-yn-1-ol?
The canonical SMILES for (E)-5-(6,6-dimethylcyclohexen-1-yl)pent-4-en-2-yn-1-ol is CC1(C)CCCC=C1/C=C/C#CCO.
What is the InChIKey of (E)-5-(6,6-dimethylcyclohexen-1-yl)pent-4-en-2-yn-1-ol?
The InChIKey is ULUKQKJQISQICC-XBXARRHUSA-N. The full InChI is InChI=1S/C13H18O/c1-13(2)10-6-5-9-12(13)8-4-3-7-11-14/h4,8-9,14H,5-6,10-11H2,1-2H3/b8-4+.
What are the key properties of (E)-5-(6,6-dimethylcyclohexen-1-yl)pent-4-en-2-yn-1-ol?
(E)-5-(6,6-dimethylcyclohexen-1-yl)pent-4-en-2-yn-1-ol has a molecular weight of 190.29 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(6,6-dimethylcyclohexen-1-yl)pent-4-en-2-yn-1-ol is sourced from PubChem (CID 166449533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).