2-hex-5-en-3-yl-1,3-dimethyl-5-propoxybenzene

C17H26O — CID 83940386

IUPAC2-hex-5-en-3-yl-1,3-dimethyl-5-propoxybenzene
SMILESC=CCC(CC)c1c(C)cc(OCCC)cc1C
InChIInChI=1S/C17H26O/c1-6-9-15(8-3)17-13(4)11-16(12-14(17)5)18-10-7-2/h6,11-12,15H,1,7-10H2,2-5H3
InChIKeyMXWVFCYHIQJTDD-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.16
Rot. Bonds7

About 2-hex-5-en-3-yl-1,3-dimethyl-5-propoxybenzene

2-hex-5-en-3-yl-1,3-dimethyl-5-propoxybenzene (PubChem CID 83940386) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-hex-5-en-3-yl-1,3-dimethyl-5-propoxybenzene.

Molecular Properties

Compound Name2-hex-5-en-3-yl-1,3-dimethyl-5-propoxybenzene
PubChem CID83940386
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2-hex-5-en-3-yl-1,3-dimethyl-5-propoxybenzene
SMILESC=CCC(CC)c1c(C)cc(OCCC)cc1C
InChIInChI=1S/C17H26O/c1-6-9-15(8-3)17-13(4)11-16(12-14(17)5)18-10-7-2/h6,11-12,15H,1,7-10H2,2-5H3
InChIKeyMXWVFCYHIQJTDD-UHFFFAOYSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-hex-5-en-3-yl-1,2-dipropoxybenzene
CID 83932033
2,2-dichloro-1-(2,6-dimethyl-4-propoxyphenyl)ethanol
CID 164895267
6-(2,6-dimethyl-4-propoxyphenyl)heptane-3,4-diol
CID 83940420
2-chloro-1,3-dimethyl-5-propoxybenzene
CID 123140196
3-(2,6-dimethyl-4-propoxyphenyl)butanethioamide
CID 83940351
5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene
CID 83940128
2-(2,6-dimethyl-4-propoxyphenyl)octane-4,5-diol
CID 83940421
1,2-dimethyl-4-propoxybenzene
CID 23549082
2-tert-butyl-4-hex-5-en-3-yl-1-methylbenzene
CID 83939238
1-ethoxy-2-hex-5-en-3-yl-4-methylbenzene
CID 83933692
1-pentan-3-yl-4-(4-propoxyphenyl)benzene
CID 126760661
2-[2-(2-methyl-4-propoxyphenyl)butyl]propane-1,3-diamine
CID 83936840

Frequently Asked Questions

What is the IUPAC name of 2-hex-5-en-3-yl-1,3-dimethyl-5-propoxybenzene?
The IUPAC name of 2-hex-5-en-3-yl-1,3-dimethyl-5-propoxybenzene (CID 83940386) is 2-hex-5-en-3-yl-1,3-dimethyl-5-propoxybenzene.
What is the SMILES notation for 2-hex-5-en-3-yl-1,3-dimethyl-5-propoxybenzene?
The canonical SMILES for 2-hex-5-en-3-yl-1,3-dimethyl-5-propoxybenzene is C=CCC(CC)c1c(C)cc(OCCC)cc1C.
What is the InChIKey of 2-hex-5-en-3-yl-1,3-dimethyl-5-propoxybenzene?
The InChIKey is MXWVFCYHIQJTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-6-9-15(8-3)17-13(4)11-16(12-14(17)5)18-10-7-2/h6,11-12,15H,1,7-10H2,2-5H3.
What are the key properties of 2-hex-5-en-3-yl-1,3-dimethyl-5-propoxybenzene?
2-hex-5-en-3-yl-1,3-dimethyl-5-propoxybenzene has a molecular weight of 246.39 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-en-3-yl-1,3-dimethyl-5-propoxybenzene is sourced from PubChem (CID 83940386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).