2-but-3-enyl-1,3-bis(cyclopropylmethyl)benzene

C18H24 — CID 159034840

IUPAC2-but-3-enyl-1,3-bis(cyclopropylmethyl)benzene
SMILESC=CCCc1c(CC2CC2)cccc1CC1CC1
InChIInChI=1S/C18H24/c1-2-3-7-18-16(12-14-8-9-14)5-4-6-17(18)13-15-10-11-15/h2,4-6,14-15H,1,3,7-13H2
InChIKeyRZJOSFYLNXEBEA-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.71
Rot. Bonds7

About 2-but-3-enyl-1,3-bis(cyclopropylmethyl)benzene

2-but-3-enyl-1,3-bis(cyclopropylmethyl)benzene (PubChem CID 159034840) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-but-3-enyl-1,3-bis(cyclopropylmethyl)benzene.

Molecular Properties

Compound Name2-but-3-enyl-1,3-bis(cyclopropylmethyl)benzene
PubChem CID159034840
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name2-but-3-enyl-1,3-bis(cyclopropylmethyl)benzene
SMILESC=CCCc1c(CC2CC2)cccc1CC1CC1
InChIInChI=1S/C18H24/c1-2-3-7-18-16(12-14-8-9-14)5-4-6-17(18)13-15-10-11-15/h2,4-6,14-15H,1,3,7-13H2
InChIKeyRZJOSFYLNXEBEA-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.71
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

2-[(4-aminocyclohexyl)methyl]-6-prop-2-enylaniline
CID 70487047
1-but-3-enyl-2,3-dibutylbenzene
CID 140596669
2-(cyclopropylmethyl)phenol
CID 23014132
1-(cyclopropylmethyl)-2,3-dimethylbenzene
CID 20690233
2-(4-pent-4-enylcyclohexyl)ethylbenzene
CID 56624486
2-(cyclopropylmethyl)aniline
CID 55285261
1-non-8-enylnaphthalene
CID 101304361
2-chloro-6-(cyclopropylmethyl)aniline
CID 105439830
2-[[3-[3-(oxiran-2-ylmethyl)-2-prop-2-enylphenoxy]-2-prop-2-enylphenyl]methyl]oxirane
CID 23343467
1-[2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]ethyl]-4-chlorobenzene
CID 19380347
2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139862828
2-(cyclopropylmethyl)-N,N-dimethylaniline
CID 90792914

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-1,3-bis(cyclopropylmethyl)benzene?
The IUPAC name of 2-but-3-enyl-1,3-bis(cyclopropylmethyl)benzene (CID 159034840) is 2-but-3-enyl-1,3-bis(cyclopropylmethyl)benzene.
What is the SMILES notation for 2-but-3-enyl-1,3-bis(cyclopropylmethyl)benzene?
The canonical SMILES for 2-but-3-enyl-1,3-bis(cyclopropylmethyl)benzene is C=CCCc1c(CC2CC2)cccc1CC1CC1.
What is the InChIKey of 2-but-3-enyl-1,3-bis(cyclopropylmethyl)benzene?
The InChIKey is RZJOSFYLNXEBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-2-3-7-18-16(12-14-8-9-14)5-4-6-17(18)13-15-10-11-15/h2,4-6,14-15H,1,3,7-13H2.
What are the key properties of 2-but-3-enyl-1,3-bis(cyclopropylmethyl)benzene?
2-but-3-enyl-1,3-bis(cyclopropylmethyl)benzene has a molecular weight of 240.39 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-1,3-bis(cyclopropylmethyl)benzene is sourced from PubChem (CID 159034840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).