(3-butyl-5-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)benzene

C18H22 — CID 142497404

IUPAC(3-butyl-5-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)benzene
SMILESC=C(C)C1C=C(CCCC)C=C1c1ccccc1
InChIInChI=1S/C18H22/c1-4-5-9-15-12-17(14(2)3)18(13-15)16-10-7-6-8-11-16/h6-8,10-13,17H,2,4-5,9H2,1,3H3
InChIKeyHDDUUDPEBHPFFT-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.39
Rot. Bonds5

About (3-butyl-5-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)benzene

(3-butyl-5-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)benzene (PubChem CID 142497404) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is (3-butyl-5-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)benzene.

Molecular Properties

Compound Name(3-butyl-5-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)benzene
PubChem CID142497404
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name(3-butyl-5-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)benzene
SMILESC=C(C)C1C=C(CCCC)C=C1c1ccccc1
InChIInChI=1S/C18H22/c1-4-5-9-15-12-17(14(2)3)18(13-15)16-10-7-6-8-11-16/h6-8,10-13,17H,2,4-5,9H2,1,3H3
InChIKeyHDDUUDPEBHPFFT-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.39
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

butylbenzene;carbonic acid
CID 158278492
1,1'-biphenyl;hexadecane
CID 173308514
1,1'-biphenyl;1-bromobutane
CID 174623341
(4-butyl-2-phenylcyclopenta-1,3-dien-1-yl)benzene
CID 101414477
1-butyl-4-phenylbenzene;ethane
CID 143743409
butylbenzene;hydroxylamine
CID 175142403
1,3-dibutyl-2-phenylbenzene
CID 15421912
2-butyl-6-phenylbenzene-1,4-diol
CID 23109144
oct-1-en-4-ylbenzene
CID 22247233
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
2,5-dibutyl-3-phenylphenol
CID 122215941
1-heptyl-2-phenyl-1H-indene
CID 91113646

Frequently Asked Questions

What is the IUPAC name of (3-butyl-5-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)benzene?
The IUPAC name of (3-butyl-5-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)benzene (CID 142497404) is (3-butyl-5-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)benzene.
What is the SMILES notation for (3-butyl-5-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)benzene?
The canonical SMILES for (3-butyl-5-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)benzene is C=C(C)C1C=C(CCCC)C=C1c1ccccc1.
What is the InChIKey of (3-butyl-5-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)benzene?
The InChIKey is HDDUUDPEBHPFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-4-5-9-15-12-17(14(2)3)18(13-15)16-10-7-6-8-11-16/h6-8,10-13,17H,2,4-5,9H2,1,3H3.
What are the key properties of (3-butyl-5-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)benzene?
(3-butyl-5-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)benzene has a molecular weight of 238.37 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyl-5-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)benzene is sourced from PubChem (CID 142497404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).