(5E)-5-benzylidene-2,2,4-trimethylcyclopentan-1-ol

C15H20O — CID 102014936

IUPAC(5E)-5-benzylidene-2,2,4-trimethylcyclopentan-1-ol
SMILESCC1CC(C)(C)C(O)/C1=C/c1ccccc1
InChIInChI=1S/C15H20O/c1-11-10-15(2,3)14(16)13(11)9-12-7-5-4-6-8-12/h4-9,11,14,16H,10H2,1-3H3/b13-9+
InChIKeyHDAMQHKUQVBFPH-UKTHLTGXSA-N
MW216.32 g/mol
LogP3.50
Rot. Bonds1

About (5E)-5-benzylidene-2,2,4-trimethylcyclopentan-1-ol

(5E)-5-benzylidene-2,2,4-trimethylcyclopentan-1-ol (PubChem CID 102014936) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (5E)-5-benzylidene-2,2,4-trimethylcyclopentan-1-ol.

Molecular Properties

Compound Name(5E)-5-benzylidene-2,2,4-trimethylcyclopentan-1-ol
PubChem CID102014936
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(5E)-5-benzylidene-2,2,4-trimethylcyclopentan-1-ol
SMILESCC1CC(C)(C)C(O)/C1=C/c1ccccc1
InChIInChI=1S/C15H20O/c1-11-10-15(2,3)14(16)13(11)9-12-7-5-4-6-8-12/h4-9,11,14,16H,10H2,1-3H3/b13-9+
InChIKeyHDAMQHKUQVBFPH-UKTHLTGXSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6E)-6-benzylidene-2,2-dimethylcyclohexan-1-ol
CID 10242437
(3E)-3-benzylidene-2,2-dimethylcyclobutan-1-ol
CID 46919084
(1S,2E,3S,5R)-2-benzylidene-4,4-dimethyl-1-trimethylsilylbicyclo[3.1.0]hexan-3-ol
CID 102403651
(3E)-2,2-dimethyl-3-[(4-phenylphenyl)methylidene]cyclobutan-1-ol
CID 46919184
(2E,5E)-2,5-dibenzylidenecyclopentan-1-ol
CID 12642987
dimethyl (3E)-3-benzylidene-4-methylcyclopentane-1,1-dicarboxylate
CID 11289206
3-benzylidene-4-methyloxolane
CID 11725420
2-(2,2-dimethylcyclopropyl)ethenylsulfanylbenzene
CID 70566874
bromobenzene;formic acid;1,1,2-trimethylcyclopropane
CID 144977863
2,3-dimethyl-3-phenylcyclobutan-1-ol
CID 175816648
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
carbonic acid;2-(2,2-dimethylcyclopropyl)ethenylsulfanylbenzene
CID 70566873

Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-2,2,4-trimethylcyclopentan-1-ol?
The IUPAC name of (5E)-5-benzylidene-2,2,4-trimethylcyclopentan-1-ol (CID 102014936) is (5E)-5-benzylidene-2,2,4-trimethylcyclopentan-1-ol.
What is the SMILES notation for (5E)-5-benzylidene-2,2,4-trimethylcyclopentan-1-ol?
The canonical SMILES for (5E)-5-benzylidene-2,2,4-trimethylcyclopentan-1-ol is CC1CC(C)(C)C(O)/C1=C/c1ccccc1.
What is the InChIKey of (5E)-5-benzylidene-2,2,4-trimethylcyclopentan-1-ol?
The InChIKey is HDAMQHKUQVBFPH-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H20O/c1-11-10-15(2,3)14(16)13(11)9-12-7-5-4-6-8-12/h4-9,11,14,16H,10H2,1-3H3/b13-9+.
What are the key properties of (5E)-5-benzylidene-2,2,4-trimethylcyclopentan-1-ol?
(5E)-5-benzylidene-2,2,4-trimethylcyclopentan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-2,2,4-trimethylcyclopentan-1-ol is sourced from PubChem (CID 102014936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).