(3E)-3-benzylidene-2,2-dimethylcyclobutan-1-ol

C13H16O — CID 46919084

IUPAC(3E)-3-benzylidene-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)/C(=C/c2ccccc2)CC1O
InChIInChI=1S/C13H16O/c1-13(2)11(9-12(13)14)8-10-6-4-3-5-7-10/h3-8,12,14H,9H2,1-2H3/b11-8+
InChIKeyNYPHDCRHOYEUAG-DHZHZOJOSA-N
MW188.27 g/mol
LogP2.86
Rot. Bonds1

About (3E)-3-benzylidene-2,2-dimethylcyclobutan-1-ol

(3E)-3-benzylidene-2,2-dimethylcyclobutan-1-ol (PubChem CID 46919084) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (3E)-3-benzylidene-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name(3E)-3-benzylidene-2,2-dimethylcyclobutan-1-ol
PubChem CID46919084
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(3E)-3-benzylidene-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)/C(=C/c2ccccc2)CC1O
InChIInChI=1S/C13H16O/c1-13(2)11(9-12(13)14)8-10-6-4-3-5-7-10/h3-8,12,14H,9H2,1-2H3/b11-8+
InChIKeyNYPHDCRHOYEUAG-DHZHZOJOSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3E)-2,2-dimethyl-3-[(4-phenylphenyl)methylidene]cyclobutan-1-ol
CID 46919184
(3Z)-3-benzylidene-2,2-dimethyloxolane
CID 177435571
(5E)-5-benzylidene-2,2,4-trimethylcyclopentan-1-ol
CID 102014936
(3R)-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-3,5-diol
CID 163193809
(6E)-6-benzylidene-2,2-dimethylcyclohexan-1-ol
CID 10242437
(2E,5E)-2,5-dibenzylidenecyclopentan-1-ol
CID 12642987
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
(3E)-3-benzylidene-1,4,4-trimethylbicyclo[3.2.0]heptan-2-one
CID 90473499
(1S,2E,3S,5R)-2-benzylidene-4,4-dimethyl-1-trimethylsilylbicyclo[3.1.0]hexan-3-ol
CID 102403651
3-benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 157212081
(2E,3R,5Z)-2,5-dibenzylidene-3-methylcyclopentan-1-one
CID 92523827
(3E)-3-benzylidene-5-(2-methylprop-1-enyl)oxolan-2-one
CID 139255404

Frequently Asked Questions

What is the IUPAC name of (3E)-3-benzylidene-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of (3E)-3-benzylidene-2,2-dimethylcyclobutan-1-ol (CID 46919084) is (3E)-3-benzylidene-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for (3E)-3-benzylidene-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for (3E)-3-benzylidene-2,2-dimethylcyclobutan-1-ol is CC1(C)/C(=C/c2ccccc2)CC1O.
What is the InChIKey of (3E)-3-benzylidene-2,2-dimethylcyclobutan-1-ol?
The InChIKey is NYPHDCRHOYEUAG-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H16O/c1-13(2)11(9-12(13)14)8-10-6-4-3-5-7-10/h3-8,12,14H,9H2,1-2H3/b11-8+.
What are the key properties of (3E)-3-benzylidene-2,2-dimethylcyclobutan-1-ol?
(3E)-3-benzylidene-2,2-dimethylcyclobutan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-benzylidene-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 46919084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).