(1S,3Z)-3-(2-hydroxyethylidene)-4-methylidenecyclohexan-1-ol

C9H14O2 — CID 15618759

IUPAC(1S,3Z)-3-(2-hydroxyethylidene)-4-methylidenecyclohexan-1-ol
SMILESC=C1CC[C@H](O)C/C1=C/CO
InChIInChI=1S/C9H14O2/c1-7-2-3-9(11)6-8(7)4-5-10/h4,9-11H,1-3,5-6H2/b8-4-/t9-/m0/s1
InChIKeyCZDJBXLWUULEKA-OTOXVQDCSA-N
MW154.21 g/mol
LogP1.01
Rot. Bonds1

About (1S,3Z)-3-(2-hydroxyethylidene)-4-methylidenecyclohexan-1-ol

(1S,3Z)-3-(2-hydroxyethylidene)-4-methylidenecyclohexan-1-ol (PubChem CID 15618759) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1S,3Z)-3-(2-hydroxyethylidene)-4-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Name(1S,3Z)-3-(2-hydroxyethylidene)-4-methylidenecyclohexan-1-ol
PubChem CID15618759
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1S,3Z)-3-(2-hydroxyethylidene)-4-methylidenecyclohexan-1-ol
SMILESC=C1CC[C@H](O)C/C1=C/CO
InChIInChI=1S/C9H14O2/c1-7-2-3-9(11)6-8(7)4-5-10/h4,9-11H,1-3,5-6H2/b8-4-/t9-/m0/s1
InChIKeyCZDJBXLWUULEKA-OTOXVQDCSA-N
XLogP1.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,3Z)-3-(2-hydroxyethylidene)-4-methylidenecyclohexan-1-ol?
The IUPAC name of (1S,3Z)-3-(2-hydroxyethylidene)-4-methylidenecyclohexan-1-ol (CID 15618759) is (1S,3Z)-3-(2-hydroxyethylidene)-4-methylidenecyclohexan-1-ol.
What is the SMILES notation for (1S,3Z)-3-(2-hydroxyethylidene)-4-methylidenecyclohexan-1-ol?
The canonical SMILES for (1S,3Z)-3-(2-hydroxyethylidene)-4-methylidenecyclohexan-1-ol is C=C1CC[C@H](O)C/C1=C/CO.
What is the InChIKey of (1S,3Z)-3-(2-hydroxyethylidene)-4-methylidenecyclohexan-1-ol?
The InChIKey is CZDJBXLWUULEKA-OTOXVQDCSA-N. The full InChI is InChI=1S/C9H14O2/c1-7-2-3-9(11)6-8(7)4-5-10/h4,9-11H,1-3,5-6H2/b8-4-/t9-/m0/s1.
What are the key properties of (1S,3Z)-3-(2-hydroxyethylidene)-4-methylidenecyclohexan-1-ol?
(1S,3Z)-3-(2-hydroxyethylidene)-4-methylidenecyclohexan-1-ol has a molecular weight of 154.21 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3Z)-3-(2-hydroxyethylidene)-4-methylidenecyclohexan-1-ol is sourced from PubChem (CID 15618759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).