(2-decylcyclobuten-1-yl)benzene

C20H30 — CID 10825946

IUPAC(2-decylcyclobuten-1-yl)benzene
SMILESCCCCCCCCCCC1=C(c2ccccc2)CC1
InChIInChI=1S/C20H30/c1-2-3-4-5-6-7-8-10-15-19-16-17-20(19)18-13-11-9-12-14-18/h9,11-14H,2-8,10,15-17H2,1H3
InChIKeyFJPXCEMMMYTJPS-UHFFFAOYSA-N
MW270.46 g/mol
LogP6.76
Rot. Bonds10

About (2-decylcyclobuten-1-yl)benzene

(2-decylcyclobuten-1-yl)benzene (PubChem CID 10825946) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is (2-decylcyclobuten-1-yl)benzene.

Molecular Properties

Compound Name(2-decylcyclobuten-1-yl)benzene
PubChem CID10825946
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name(2-decylcyclobuten-1-yl)benzene
SMILESCCCCCCCCCCC1=C(c2ccccc2)CC1
InChIInChI=1S/C20H30/c1-2-3-4-5-6-7-8-10-15-19-16-17-20(19)18-13-11-9-12-14-18/h9,11-14H,2-8,10,15-17H2,1H3
InChIKeyFJPXCEMMMYTJPS-UHFFFAOYSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1'-biphenyl;hexadecane
CID 173308514
2-octylazulene
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1-pentadecyl-4-phenylbenzene
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1-(2-pentylcyclopenten-1-yl)-4-(trifluoromethyl)benzene
CID 69484399
6,20,34-triphenyl-11,25,39-tri(tetradecyl)tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene
CID 132609479
pentanonacontylbenzene
CID 165359347
octylbenzene
CID 16607
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
octacosylbenzene
CID 14228596
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
(5-nitroso-2-pentylcyclopenten-1-yl)benzene
CID 91529642

Frequently Asked Questions

What is the IUPAC name of (2-decylcyclobuten-1-yl)benzene?
The IUPAC name of (2-decylcyclobuten-1-yl)benzene (CID 10825946) is (2-decylcyclobuten-1-yl)benzene.
What is the SMILES notation for (2-decylcyclobuten-1-yl)benzene?
The canonical SMILES for (2-decylcyclobuten-1-yl)benzene is CCCCCCCCCCC1=C(c2ccccc2)CC1.
What is the InChIKey of (2-decylcyclobuten-1-yl)benzene?
The InChIKey is FJPXCEMMMYTJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30/c1-2-3-4-5-6-7-8-10-15-19-16-17-20(19)18-13-11-9-12-14-18/h9,11-14H,2-8,10,15-17H2,1H3.
What are the key properties of (2-decylcyclobuten-1-yl)benzene?
(2-decylcyclobuten-1-yl)benzene has a molecular weight of 270.46 g/mol, XLogP of 6.76, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-decylcyclobuten-1-yl)benzene is sourced from PubChem (CID 10825946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).