[(2Z,6Z)-4-methylcyclonona-2,6-dien-1-yl]methanol

C11H18O — CID 11126645

IUPAC[(2Z,6Z)-4-methylcyclonona-2,6-dien-1-yl]methanol
SMILESCC1/C=C\C(CO)CC/C=C\C1
InChIInChI=1S/C11H18O/c1-10-5-3-2-4-6-11(9-12)8-7-10/h2-3,7-8,10-12H,4-6,9H2,1H3/b3-2-,8-7-
InChIKeyPPCLRUCOWZPZJB-BLEQRIPJSA-N
MW166.26 g/mol
LogP2.53
Rot. Bonds1

About [(2Z,6Z)-4-methylcyclonona-2,6-dien-1-yl]methanol

[(2Z,6Z)-4-methylcyclonona-2,6-dien-1-yl]methanol (PubChem CID 11126645) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is [(2Z,6Z)-4-methylcyclonona-2,6-dien-1-yl]methanol.

Molecular Properties

Compound Name[(2Z,6Z)-4-methylcyclonona-2,6-dien-1-yl]methanol
PubChem CID11126645
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name[(2Z,6Z)-4-methylcyclonona-2,6-dien-1-yl]methanol
SMILESCC1/C=C\C(CO)CC/C=C\C1
InChIInChI=1S/C11H18O/c1-10-5-3-2-4-6-11(9-12)8-7-10/h2-3,7-8,10-12H,4-6,9H2,1H3/b3-2-,8-7-
InChIKeyPPCLRUCOWZPZJB-BLEQRIPJSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1S,4S)-4-methylcyclohex-2-en-1-yl]methanol
CID 97050185
(1E,5E,9E)-3-methylcyclododeca-1,5,9-triene
CID 5352569
(1Z,5E,9E)-3-methylcyclododeca-1,5,9-triene
CID 5352590
butanedioic acid;cyclopent-2-en-1-ylmethanol
CID 157480041
(1Z,4Z,8Z)-6-methylcycloundeca-1,4,8-triene
CID 5352577
cyclohept-4-en-1-ylmethanol
CID 12630426
4-methylcyclohexene;propane
CID 143195942
[(1R,4S)-4-aminocyclohex-2-en-1-yl]methanol
CID 45078780
(4-trimethylsilylcyclohex-2-en-1-yl)methanol
CID 14961483
(4Z)-6-(hydroxymethyl)cyclooct-4-ene-1-carboxylic acid
CID 166706819
3-methylcyclobutene;sulfane
CID 90110313
3-[(1S,4S)-4-methylcyclohex-2-en-1-yl]propan-1-ol
CID 134991836

Frequently Asked Questions

What is the IUPAC name of [(2Z,6Z)-4-methylcyclonona-2,6-dien-1-yl]methanol?
The IUPAC name of [(2Z,6Z)-4-methylcyclonona-2,6-dien-1-yl]methanol (CID 11126645) is [(2Z,6Z)-4-methylcyclonona-2,6-dien-1-yl]methanol.
What is the SMILES notation for [(2Z,6Z)-4-methylcyclonona-2,6-dien-1-yl]methanol?
The canonical SMILES for [(2Z,6Z)-4-methylcyclonona-2,6-dien-1-yl]methanol is CC1/C=C\C(CO)CC/C=C\C1.
What is the InChIKey of [(2Z,6Z)-4-methylcyclonona-2,6-dien-1-yl]methanol?
The InChIKey is PPCLRUCOWZPZJB-BLEQRIPJSA-N. The full InChI is InChI=1S/C11H18O/c1-10-5-3-2-4-6-11(9-12)8-7-10/h2-3,7-8,10-12H,4-6,9H2,1H3/b3-2-,8-7-.
What are the key properties of [(2Z,6Z)-4-methylcyclonona-2,6-dien-1-yl]methanol?
[(2Z,6Z)-4-methylcyclonona-2,6-dien-1-yl]methanol has a molecular weight of 166.26 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,6Z)-4-methylcyclonona-2,6-dien-1-yl]methanol is sourced from PubChem (CID 11126645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).