(2,2-dimethyl-3-methylidenecyclobutyl)benzene

C13H16 — CID 11095097

IUPAC(2,2-dimethyl-3-methylidenecyclobutyl)benzene
SMILESC=C1CC(c2ccccc2)C1(C)C
InChIInChI=1S/C13H16/c1-10-9-12(13(10,2)3)11-7-5-4-6-8-11/h4-8,12H,1,9H2,2-3H3
InChIKeyWPKDOKCMQJGZDS-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.76
Rot. Bonds1

About (2,2-dimethyl-3-methylidenecyclobutyl)benzene

(2,2-dimethyl-3-methylidenecyclobutyl)benzene (PubChem CID 11095097) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2,2-dimethyl-3-methylidenecyclobutyl)benzene.

Molecular Properties

Compound Name(2,2-dimethyl-3-methylidenecyclobutyl)benzene
PubChem CID11095097
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name(2,2-dimethyl-3-methylidenecyclobutyl)benzene
SMILESC=C1CC(c2ccccc2)C1(C)C
InChIInChI=1S/C13H16/c1-10-9-12(13(10,2)3)11-7-5-4-6-8-11/h4-8,12H,1,9H2,2-3H3
InChIKeyWPKDOKCMQJGZDS-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-bromo-2-methylcyclopropyl]benzene
CID 166445339
trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride
CID 118483877
(3R,5R)-2,2,5-trimethyl-3-phenylpyrrolidine
CID 11137917
[(1R,2S)-1-methyl-2-phenylcyclopropyl]methanol
CID 10607081
(3R)-2,2-dimethyl-3-phenylpyrrolidine
CID 94411574
(2-methyl-2-nitrosocyclopropyl)benzene
CID 88564269
(1,2,2-trimethyl-3-phenylcyclobutyl)benzene
CID 175871621
3,3-dimethyl-6-phenylcyclohexa-1,4-diene
CID 22450605
1-methyl-4-oxo-2,6-diphenylcyclohexane-1-carbonitrile
CID 69303844
(2-ethyl-2-methylcyclobutyl)benzene
CID 173466674
1-methyl-2-phenylcyclopentan-1-ol
CID 102035822
2,2-dimethyl-1-oxido-3,5-diphenyl-3,4-dihydropyrrol-1-ium
CID 10956439

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3-methylidenecyclobutyl)benzene?
The IUPAC name of (2,2-dimethyl-3-methylidenecyclobutyl)benzene (CID 11095097) is (2,2-dimethyl-3-methylidenecyclobutyl)benzene.
What is the SMILES notation for (2,2-dimethyl-3-methylidenecyclobutyl)benzene?
The canonical SMILES for (2,2-dimethyl-3-methylidenecyclobutyl)benzene is C=C1CC(c2ccccc2)C1(C)C.
What is the InChIKey of (2,2-dimethyl-3-methylidenecyclobutyl)benzene?
The InChIKey is WPKDOKCMQJGZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-10-9-12(13(10,2)3)11-7-5-4-6-8-11/h4-8,12H,1,9H2,2-3H3.
What are the key properties of (2,2-dimethyl-3-methylidenecyclobutyl)benzene?
(2,2-dimethyl-3-methylidenecyclobutyl)benzene has a molecular weight of 172.27 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3-methylidenecyclobutyl)benzene is sourced from PubChem (CID 11095097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).