(4Z)-4,8-dimethylcyclooct-4-ene-1,2-diol

C10H18O2 — CID 23092826

IUPAC(4Z)-4,8-dimethylcyclooct-4-ene-1,2-diol
SMILESC/C1=C/CCC(C)C(O)C(O)C1
InChIInChI=1S/C10H18O2/c1-7-4-3-5-8(2)10(12)9(11)6-7/h4,8-12H,3,5-6H2,1-2H3/b7-4-
InChIKeyTXLIRQKVUGWBQU-DAXSKMNVSA-N
MW170.25 g/mol
LogP1.47
Rot. Bonds

About (4Z)-4,8-dimethylcyclooct-4-ene-1,2-diol

(4Z)-4,8-dimethylcyclooct-4-ene-1,2-diol (PubChem CID 23092826) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (4Z)-4,8-dimethylcyclooct-4-ene-1,2-diol.

Molecular Properties

Compound Name(4Z)-4,8-dimethylcyclooct-4-ene-1,2-diol
PubChem CID23092826
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(4Z)-4,8-dimethylcyclooct-4-ene-1,2-diol
SMILESC/C1=C/CCC(C)C(O)C(O)C1
InChIInChI=1S/C10H18O2/c1-7-4-3-5-8(2)10(12)9(11)6-7/h4,8-12H,3,5-6H2,1-2H3/b7-4-
InChIKeyTXLIRQKVUGWBQU-DAXSKMNVSA-N
XLogP1.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z)-4,8-dimethylcyclooct-4-ene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z)-4,8-dimethylcyclooct-4-ene-1,2-diol?
The IUPAC name of (4Z)-4,8-dimethylcyclooct-4-ene-1,2-diol (CID 23092826) is (4Z)-4,8-dimethylcyclooct-4-ene-1,2-diol.
What is the SMILES notation for (4Z)-4,8-dimethylcyclooct-4-ene-1,2-diol?
The canonical SMILES for (4Z)-4,8-dimethylcyclooct-4-ene-1,2-diol is C/C1=C/CCC(C)C(O)C(O)C1.
What is the InChIKey of (4Z)-4,8-dimethylcyclooct-4-ene-1,2-diol?
The InChIKey is TXLIRQKVUGWBQU-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-4-3-5-8(2)10(12)9(11)6-7/h4,8-12H,3,5-6H2,1-2H3/b7-4-.
What are the key properties of (4Z)-4,8-dimethylcyclooct-4-ene-1,2-diol?
(4Z)-4,8-dimethylcyclooct-4-ene-1,2-diol has a molecular weight of 170.25 g/mol, XLogP of 1.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4,8-dimethylcyclooct-4-ene-1,2-diol is sourced from PubChem (CID 23092826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).