(2Z)-2-(5-hydroxyundecylidene)cycloheptan-1-one

C18H32O2 — CID 102185079

IUPAC(2Z)-2-(5-hydroxyundecylidene)cycloheptan-1-one
SMILESCCCCCCC(O)CCC/C=C1/CCCCCC1=O
InChIInChI=1S/C18H32O2/c1-2-3-4-7-13-17(19)14-10-9-12-16-11-6-5-8-15-18(16)20/h12,17,19H,2-11,13-15H2,1H3/b16-12-
InChIKeyVLLGBMYOGACERV-VBKFSLOCSA-N
MW280.45 g/mol
LogP4.95
Rot. Bonds9

About (2Z)-2-(5-hydroxyundecylidene)cycloheptan-1-one

(2Z)-2-(5-hydroxyundecylidene)cycloheptan-1-one (PubChem CID 102185079) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (2Z)-2-(5-hydroxyundecylidene)cycloheptan-1-one.

Molecular Properties

Compound Name(2Z)-2-(5-hydroxyundecylidene)cycloheptan-1-one
PubChem CID102185079
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(2Z)-2-(5-hydroxyundecylidene)cycloheptan-1-one
SMILESCCCCCCC(O)CCC/C=C1/CCCCCC1=O
InChIInChI=1S/C18H32O2/c1-2-3-4-7-13-17(19)14-10-9-12-16-11-6-5-8-15-18(16)20/h12,17,19H,2-11,13-15H2,1H3/b16-12-
InChIKeyVLLGBMYOGACERV-VBKFSLOCSA-N
XLogP4.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-octylidenecyclopentan-1-one
CID 87161532
2-(6-methylheptylidene)cyclopentan-1-one
CID 139648136
tetratetracontan-22-ol
CID 91434437
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
2,6-di(pentylidene)cyclohexan-1-one
CID 70979876
(6E)-6-(2-oxocyclohexylidene)hexanoic acid
CID 22987318

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(5-hydroxyundecylidene)cycloheptan-1-one?
The IUPAC name of (2Z)-2-(5-hydroxyundecylidene)cycloheptan-1-one (CID 102185079) is (2Z)-2-(5-hydroxyundecylidene)cycloheptan-1-one.
What is the SMILES notation for (2Z)-2-(5-hydroxyundecylidene)cycloheptan-1-one?
The canonical SMILES for (2Z)-2-(5-hydroxyundecylidene)cycloheptan-1-one is CCCCCCC(O)CCC/C=C1/CCCCCC1=O.
What is the InChIKey of (2Z)-2-(5-hydroxyundecylidene)cycloheptan-1-one?
The InChIKey is VLLGBMYOGACERV-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H32O2/c1-2-3-4-7-13-17(19)14-10-9-12-16-11-6-5-8-15-18(16)20/h12,17,19H,2-11,13-15H2,1H3/b16-12-.
What are the key properties of (2Z)-2-(5-hydroxyundecylidene)cycloheptan-1-one?
(2Z)-2-(5-hydroxyundecylidene)cycloheptan-1-one has a molecular weight of 280.45 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(5-hydroxyundecylidene)cycloheptan-1-one is sourced from PubChem (CID 102185079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).