5-methylcyclooct-5-ene-1,2-diol

C9H16O2 — CID 68741308

IUPAC5-methylcyclooct-5-ene-1,2-diol
SMILESCC1=CCCC(O)C(O)CC1
InChIInChI=1S/C9H16O2/c1-7-3-2-4-8(10)9(11)6-5-7/h3,8-11H,2,4-6H2,1H3
InChIKeyGKAUOWMWMGTZMT-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.23
Rot. Bonds

About 5-methylcyclooct-5-ene-1,2-diol

5-methylcyclooct-5-ene-1,2-diol (PubChem CID 68741308) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 5-methylcyclooct-5-ene-1,2-diol.

Molecular Properties

Compound Name5-methylcyclooct-5-ene-1,2-diol
PubChem CID68741308
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name5-methylcyclooct-5-ene-1,2-diol
SMILESCC1=CCCC(O)C(O)CC1
InChIInChI=1S/C9H16O2/c1-7-3-2-4-8(10)9(11)6-5-7/h3,8-11H,2,4-6H2,1H3
InChIKeyGKAUOWMWMGTZMT-UHFFFAOYSA-N
XLogP1.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-3-methylcyclohex-3-en-1-ol
CID 144556307
(4Z)-4,8-dimethylcyclooct-4-ene-1,2-diol
CID 23092826
(1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene
CID 23092808
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
(1Z,5Z)-1,6-dimethylcycloocta-1,5-diene
CID 5365761
[(4Z)-8-acetyloxy-5-methylcyclooct-4-en-1-yl] acetate
CID 23092778
(1S,5Z,9S)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-en-1-ol
CID 163074958
[(1S,4Z,8R,9R)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methyl carbamate
CID 155148330
(1Z,5E)-9-methoxy-2,5,10-trimethylcyclododeca-1,5-diene
CID 175990247
(2E,6E,10E)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol
CID 13255921
ethane;1-methylcyclobutene
CID 91484029
1-methylcyclobutene;sulfane
CID 90109296

Frequently Asked Questions

What is the IUPAC name of 5-methylcyclooct-5-ene-1,2-diol?
The IUPAC name of 5-methylcyclooct-5-ene-1,2-diol (CID 68741308) is 5-methylcyclooct-5-ene-1,2-diol.
What is the SMILES notation for 5-methylcyclooct-5-ene-1,2-diol?
The canonical SMILES for 5-methylcyclooct-5-ene-1,2-diol is CC1=CCCC(O)C(O)CC1.
What is the InChIKey of 5-methylcyclooct-5-ene-1,2-diol?
The InChIKey is GKAUOWMWMGTZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-3-2-4-8(10)9(11)6-5-7/h3,8-11H,2,4-6H2,1H3.
What are the key properties of 5-methylcyclooct-5-ene-1,2-diol?
5-methylcyclooct-5-ene-1,2-diol has a molecular weight of 156.23 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylcyclooct-5-ene-1,2-diol is sourced from PubChem (CID 68741308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).