1-hex-1-en-2-yl-2-methylbenzene

C13H18 — CID 10535245

IUPAC1-hex-1-en-2-yl-2-methylbenzene
SMILESC=C(CCCC)c1ccccc1C
InChIInChI=1S/C13H18/c1-4-5-8-11(2)13-10-7-6-9-12(13)3/h6-7,9-10H,2,4-5,8H2,1,3H3
InChIKeyQTIXBNQXLCOLSM-UHFFFAOYSA-N
MW174.29 g/mol
LogP4.20
Rot. Bonds4

About 1-hex-1-en-2-yl-2-methylbenzene

1-hex-1-en-2-yl-2-methylbenzene (PubChem CID 10535245) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-hex-1-en-2-yl-2-methylbenzene.

Molecular Properties

Compound Name1-hex-1-en-2-yl-2-methylbenzene
PubChem CID10535245
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-hex-1-en-2-yl-2-methylbenzene
SMILESC=C(CCCC)c1ccccc1C
InChIInChI=1S/C13H18/c1-4-5-8-11(2)13-10-7-6-9-12(13)3/h6-7,9-10H,2,4-5,8H2,1,3H3
InChIKeyQTIXBNQXLCOLSM-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 175496143
1-methyl-2-(2-methylhept-2-en-3-yl)benzene
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1-hex-1-en-2-yl-2,4,5-trimethylbenzene
CID 142349579
1-(2-methylphenyl)hexane-1,2-dione
CID 123909332
4-(2-methylphenyl)pent-4-enamide
CID 146545634
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-methylphenyl)nonan-1-one
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tetrakis(hexane);tris(1,2-xylene)
CID 173431292
1-[(2E,4Z)-3-butylhepta-2,4,6-trien-2-yl]-2-methylbenzene
CID 143561828
1-(2-methylphenyl)dodecane-1,2-dione
CID 4661081
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
1-ethyl-2-pent-1-en-2-ylbenzene
CID 173350978

Frequently Asked Questions

What is the IUPAC name of 1-hex-1-en-2-yl-2-methylbenzene?
The IUPAC name of 1-hex-1-en-2-yl-2-methylbenzene (CID 10535245) is 1-hex-1-en-2-yl-2-methylbenzene.
What is the SMILES notation for 1-hex-1-en-2-yl-2-methylbenzene?
The canonical SMILES for 1-hex-1-en-2-yl-2-methylbenzene is C=C(CCCC)c1ccccc1C.
What is the InChIKey of 1-hex-1-en-2-yl-2-methylbenzene?
The InChIKey is QTIXBNQXLCOLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-4-5-8-11(2)13-10-7-6-9-12(13)3/h6-7,9-10H,2,4-5,8H2,1,3H3.
What are the key properties of 1-hex-1-en-2-yl-2-methylbenzene?
1-hex-1-en-2-yl-2-methylbenzene has a molecular weight of 174.29 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-en-2-yl-2-methylbenzene is sourced from PubChem (CID 10535245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).