cyclobutane;1-cyclohex-2-en-1-ylbutylbenzene

C20H30 — CID 145163043

IUPACcyclobutane;1-cyclohex-2-en-1-ylbutylbenzene
SMILESC1CCC1.CCCC(c1ccccc1)C1C=CCCC1
InChIInChI=1S/C16H22.C4H8/c1-2-9-16(14-10-5-3-6-11-14)15-12-7-4-8-13-15;1-2-4-3-1/h3,5-7,10-12,15-16H,2,4,8-9,13H2,1H3;1-4H2
InChIKeyJYDAATBNSYXXQF-UHFFFAOYSA-N
MW270.46 g/mol
LogP6.49
Rot. Bonds4

About cyclobutane;1-cyclohex-2-en-1-ylbutylbenzene

cyclobutane;1-cyclohex-2-en-1-ylbutylbenzene (PubChem CID 145163043) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is cyclobutane;1-cyclohex-2-en-1-ylbutylbenzene.

Molecular Properties

Compound Namecyclobutane;1-cyclohex-2-en-1-ylbutylbenzene
PubChem CID145163043
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Namecyclobutane;1-cyclohex-2-en-1-ylbutylbenzene
SMILESC1CCC1.CCCC(c1ccccc1)C1C=CCCC1
InChIInChI=1S/C16H22.C4H8/c1-2-9-16(14-10-5-3-6-11-14)15-12-7-4-8-13-15;1-2-4-3-1/h3,5-7,10-12,15-16H,2,4,8-9,13H2,1H3;1-4H2
InChIKeyJYDAATBNSYXXQF-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.49
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

(S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol
CID 7057143
1-cyclohexylpentan-2-ylbenzene
CID 139744385
2-cyclohex-2-en-1-ylpentanoic acid
CID 12609529
4-cyclopent-2-en-1-yl-4-phenylbutan-2-one
CID 24977181
1-cyclobutylpentylbenzene
CID 90897767
N-[cyclohex-2-en-1-yl(phenyl)methyl]aniline
CID 177462133
(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol
CID 101047388
N-[cyclohex-2-en-1-yl(phenyl)methyl]-2-methylpropanethioamide
CID 10901776
[1-fluoro-4-(1-phenylbutyl)cyclohexyl]phosphane
CID 156542653
N-(1-phenylethyl)cyclohex-2-en-1-amine
CID 103846518
1-chloropentan-2-ylbenzene
CID 524326
1,1-diphenylhexan-3-ylbenzene
CID 57087261

Frequently Asked Questions

What is the IUPAC name of cyclobutane;1-cyclohex-2-en-1-ylbutylbenzene?
The IUPAC name of cyclobutane;1-cyclohex-2-en-1-ylbutylbenzene (CID 145163043) is cyclobutane;1-cyclohex-2-en-1-ylbutylbenzene.
What is the SMILES notation for cyclobutane;1-cyclohex-2-en-1-ylbutylbenzene?
The canonical SMILES for cyclobutane;1-cyclohex-2-en-1-ylbutylbenzene is C1CCC1.CCCC(c1ccccc1)C1C=CCCC1.
What is the InChIKey of cyclobutane;1-cyclohex-2-en-1-ylbutylbenzene?
The InChIKey is JYDAATBNSYXXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22.C4H8/c1-2-9-16(14-10-5-3-6-11-14)15-12-7-4-8-13-15;1-2-4-3-1/h3,5-7,10-12,15-16H,2,4,8-9,13H2,1H3;1-4H2.
What are the key properties of cyclobutane;1-cyclohex-2-en-1-ylbutylbenzene?
cyclobutane;1-cyclohex-2-en-1-ylbutylbenzene has a molecular weight of 270.46 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;1-cyclohex-2-en-1-ylbutylbenzene is sourced from PubChem (CID 145163043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).