(1R,4Z)-4-(2-hydroxyethylidene)-6,6-dimethylcyclohex-2-en-1-ol

C10H16O2 — CID 162932892

IUPAC(1R,4Z)-4-(2-hydroxyethylidene)-6,6-dimethylcyclohex-2-en-1-ol
SMILESCC1(C)C/C(=C/CO)C=C[C@H]1O
InChIInChI=1S/C10H16O2/c1-10(2)7-8(5-6-11)3-4-9(10)12/h3-5,9,11-12H,6-7H2,1-2H3/b8-5+/t9-/m1/s1
InChIKeyOZMPRKSGMPJXGO-WHXYTISESA-N
MW168.24 g/mol
LogP1.25
Rot. Bonds1

About (1R,4Z)-4-(2-hydroxyethylidene)-6,6-dimethylcyclohex-2-en-1-ol

(1R,4Z)-4-(2-hydroxyethylidene)-6,6-dimethylcyclohex-2-en-1-ol (PubChem CID 162932892) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1R,4Z)-4-(2-hydroxyethylidene)-6,6-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,4Z)-4-(2-hydroxyethylidene)-6,6-dimethylcyclohex-2-en-1-ol
PubChem CID162932892
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1R,4Z)-4-(2-hydroxyethylidene)-6,6-dimethylcyclohex-2-en-1-ol
SMILESCC1(C)C/C(=C/CO)C=C[C@H]1O
InChIInChI=1S/C10H16O2/c1-10(2)7-8(5-6-11)3-4-9(10)12/h3-5,9,11-12H,6-7H2,1-2H3/b8-5+/t9-/m1/s1
InChIKeyOZMPRKSGMPJXGO-WHXYTISESA-N
XLogP1.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Carveol
CID 7438
Carveol, trans-(-)-
CID 94221
Carveol, cis-(-)-
CID 330573
beta-Ionol, (E)-
CID 5373729
(+)-cis-Carveol
CID 443177
Isophorol
CID 79016
(+)-trans-Carveol
CID 443178
Lactucaxanthin
CID 5281242
Isocryptoxanthin
CID 9959307
Isozeaxanthin
CID 11757703
Aleuriaxanthin
CID 131752086
epsilon,gamma-Caroten-3-ol
CID 131751053

Frequently Asked Questions

What is the IUPAC name of (1R,4Z)-4-(2-hydroxyethylidene)-6,6-dimethylcyclohex-2-en-1-ol?
The IUPAC name of (1R,4Z)-4-(2-hydroxyethylidene)-6,6-dimethylcyclohex-2-en-1-ol (CID 162932892) is (1R,4Z)-4-(2-hydroxyethylidene)-6,6-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,4Z)-4-(2-hydroxyethylidene)-6,6-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,4Z)-4-(2-hydroxyethylidene)-6,6-dimethylcyclohex-2-en-1-ol is CC1(C)C/C(=C/CO)C=C[C@H]1O.
What is the InChIKey of (1R,4Z)-4-(2-hydroxyethylidene)-6,6-dimethylcyclohex-2-en-1-ol?
The InChIKey is OZMPRKSGMPJXGO-WHXYTISESA-N. The full InChI is InChI=1S/C10H16O2/c1-10(2)7-8(5-6-11)3-4-9(10)12/h3-5,9,11-12H,6-7H2,1-2H3/b8-5+/t9-/m1/s1.
What are the key properties of (1R,4Z)-4-(2-hydroxyethylidene)-6,6-dimethylcyclohex-2-en-1-ol?
(1R,4Z)-4-(2-hydroxyethylidene)-6,6-dimethylcyclohex-2-en-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4Z)-4-(2-hydroxyethylidene)-6,6-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 162932892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).