(2Z)-2-(6,6-dimethoxyhexylidene)cyclopentan-1-ol

C13H24O3 — CID 11665782

IUPAC(2Z)-2-(6,6-dimethoxyhexylidene)cyclopentan-1-ol
SMILESCOC(CCCC/C=C1/CCCC1O)OC
InChIInChI=1S/C13H24O3/c1-15-13(16-2)10-5-3-4-7-11-8-6-9-12(11)14/h7,12-14H,3-6,8-10H2,1-2H3/b11-7-
InChIKeyQOYPXMRPKBHWOF-XFFZJAGNSA-N
MW228.33 g/mol
LogP2.64
Rot. Bonds7

About (2Z)-2-(6,6-dimethoxyhexylidene)cyclopentan-1-ol

(2Z)-2-(6,6-dimethoxyhexylidene)cyclopentan-1-ol (PubChem CID 11665782) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (2Z)-2-(6,6-dimethoxyhexylidene)cyclopentan-1-ol.

Molecular Properties

Compound Name(2Z)-2-(6,6-dimethoxyhexylidene)cyclopentan-1-ol
PubChem CID11665782
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(2Z)-2-(6,6-dimethoxyhexylidene)cyclopentan-1-ol
SMILESCOC(CCCC/C=C1/CCCC1O)OC
InChIInChI=1S/C13H24O3/c1-15-13(16-2)10-5-3-4-7-11-8-6-9-12(11)14/h7,12-14H,3-6,8-10H2,1-2H3/b11-7-
InChIKeyQOYPXMRPKBHWOF-XFFZJAGNSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(6,6-dimethoxyhexylidene)cyclopentan-1-ol?
The IUPAC name of (2Z)-2-(6,6-dimethoxyhexylidene)cyclopentan-1-ol (CID 11665782) is (2Z)-2-(6,6-dimethoxyhexylidene)cyclopentan-1-ol.
What is the SMILES notation for (2Z)-2-(6,6-dimethoxyhexylidene)cyclopentan-1-ol?
The canonical SMILES for (2Z)-2-(6,6-dimethoxyhexylidene)cyclopentan-1-ol is COC(CCCC/C=C1/CCCC1O)OC.
What is the InChIKey of (2Z)-2-(6,6-dimethoxyhexylidene)cyclopentan-1-ol?
The InChIKey is QOYPXMRPKBHWOF-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H24O3/c1-15-13(16-2)10-5-3-4-7-11-8-6-9-12(11)14/h7,12-14H,3-6,8-10H2,1-2H3/b11-7-.
What are the key properties of (2Z)-2-(6,6-dimethoxyhexylidene)cyclopentan-1-ol?
(2Z)-2-(6,6-dimethoxyhexylidene)cyclopentan-1-ol has a molecular weight of 228.33 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(6,6-dimethoxyhexylidene)cyclopentan-1-ol is sourced from PubChem (CID 11665782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).