2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene

C14H20 — CID 177145999

IUPAC2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene
SMILESC/C=C(/C)c1cc(C)ccc1CCC
InChIInChI=1S/C14H20/c1-5-7-13-9-8-11(3)10-14(13)12(4)6-2/h6,8-10H,5,7H2,1-4H3/b12-6-
InChIKeyKCFWFGKSLYXAJM-SDQBBNPISA-N
MW188.31 g/mol
LogP4.37
Rot. Bonds3

About 2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene

2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene (PubChem CID 177145999) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene.

Molecular Properties

Compound Name2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene
PubChem CID177145999
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene
SMILESC/C=C(/C)c1cc(C)ccc1CCC
InChIInChI=1S/C14H20/c1-5-7-13-9-8-11(3)10-14(13)12(4)6-2/h6,8-10H,5,7H2,1-4H3/b12-6-
InChIKeyKCFWFGKSLYXAJM-SDQBBNPISA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(5-methyl-2-propylphenyl)but-3-enoic acid
CID 123682201
2-[(Z)-but-2-en-2-yl]-5-methylphenol
CID 22825363
5-methyl-2-propylbenzaldehyde
CID 23586663
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane
CID 153374164
but-1-ene;2,4-dimethyl-1-propylbenzene;ethane
CID 165130204
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene
CID 143717580
1-[2-(3-but-2-en-2-ylphenyl)ethyl]-2,4-dimethylbenzene
CID 153358848
4-(4-methylphenyl)-1,2-dipropylbenzene
CID 159068290
N,N-dihydroxy-4-methyl-2-propylaniline
CID 23084353
2,5-dipropylbenzoic acid
CID 139904729
2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene
CID 59876774
2-(2-carboxyethyl)-5-methylbenzoic acid
CID 82158434

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene?
The IUPAC name of 2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene (CID 177145999) is 2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene.
What is the SMILES notation for 2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene?
The canonical SMILES for 2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene is C/C=C(/C)c1cc(C)ccc1CCC.
What is the InChIKey of 2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene?
The InChIKey is KCFWFGKSLYXAJM-SDQBBNPISA-N. The full InChI is InChI=1S/C14H20/c1-5-7-13-9-8-11(3)10-14(13)12(4)6-2/h6,8-10H,5,7H2,1-4H3/b12-6-.
What are the key properties of 2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene?
2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene has a molecular weight of 188.31 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene is sourced from PubChem (CID 177145999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).