(Z,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-5-yn-3-ol

C16H24O — CID 98565733

IUPAC(Z,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-5-yn-3-ol
SMILESC#CC[C@@](C)(O)/C=C\C1=C(C)CCCC1(C)C
InChIInChI=1S/C16H24O/c1-6-10-16(5,17)12-9-14-13(2)8-7-11-15(14,3)4/h1,9,12,17H,7-8,10-11H2,2-5H3/b12-9-/t16-/m1/s1
InChIKeyOISIVHUKVJCYEN-HMWXGYMHSA-N
MW232.37 g/mol
LogP3.84
Rot. Bonds3

About (Z,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-5-yn-3-ol

(Z,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-5-yn-3-ol (PubChem CID 98565733) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (Z,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-5-yn-3-ol.

Molecular Properties

Compound Name(Z,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-5-yn-3-ol
PubChem CID98565733
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(Z,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-5-yn-3-ol
SMILESC#CC[C@@](C)(O)/C=C\C1=C(C)CCCC1(C)C
InChIInChI=1S/C16H24O/c1-6-10-16(5,17)12-9-14-13(2)8-7-11-15(14,3)4/h1,9,12,17H,7-8,10-11H2,2-5H3/b12-9-/t16-/m1/s1
InChIKeyOISIVHUKVJCYEN-HMWXGYMHSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-5-yn-3-ol with MolForge

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Related Compounds

(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-4-yn-3-ol
CID 10632627
(E,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-4-yn-3-ol
CID 7312693
(1E,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
CID 86310428
1-chloro-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
CID 90964728
2-[(E)-3-(2-methoxypropan-2-yloxy)-3-methylpent-1-en-4-ynyl]-1,3,3-trimethylcyclohexene
CID 58077901
3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol
CID 590095
(1E,4E)-3-methyl-1-(4-methylphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
CID 100973619
(Z,2S)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
CID 76968694
3-methyl-5-phenyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-4-yn-3-ol
CID 85152034
(E,E)-N-prop-2-ynoxy-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-imine
CID 10681820
(E)-2-pyridin-4-yl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
CID 162398954
4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
CID 77238031

Frequently Asked Questions

What is the IUPAC name of (Z,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-5-yn-3-ol?
The IUPAC name of (Z,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-5-yn-3-ol (CID 98565733) is (Z,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-5-yn-3-ol.
What is the SMILES notation for (Z,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-5-yn-3-ol?
The canonical SMILES for (Z,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-5-yn-3-ol is C#CC[C@@](C)(O)/C=C\C1=C(C)CCCC1(C)C.
What is the InChIKey of (Z,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-5-yn-3-ol?
The InChIKey is OISIVHUKVJCYEN-HMWXGYMHSA-N. The full InChI is InChI=1S/C16H24O/c1-6-10-16(5,17)12-9-14-13(2)8-7-11-15(14,3)4/h1,9,12,17H,7-8,10-11H2,2-5H3/b12-9-/t16-/m1/s1.
What are the key properties of (Z,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-5-yn-3-ol?
(Z,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-5-yn-3-ol has a molecular weight of 232.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-5-yn-3-ol is sourced from PubChem (CID 98565733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).