1-[(Z)-hept-5-en-3-yl]-2-(2-methylpropoxy)benzene

C17H26O — CID 83932482

IUPAC1-[(Z)-hept-5-en-3-yl]-2-(2-methylpropoxy)benzene
SMILESC/C=C\CC(CC)c1ccccc1OCC(C)C
InChIInChI=1S/C17H26O/c1-5-7-10-15(6-2)16-11-8-9-12-17(16)18-13-14(3)4/h5,7-9,11-12,14-15H,6,10,13H2,1-4H3/b7-5-
InChIKeyWCLJRAUUGTWNDS-ALCCZGGFSA-N
MW246.39 g/mol
LogP5.18
Rot. Bonds7

About 1-[(Z)-hept-5-en-3-yl]-2-(2-methylpropoxy)benzene

1-[(Z)-hept-5-en-3-yl]-2-(2-methylpropoxy)benzene (PubChem CID 83932482) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-[(Z)-hept-5-en-3-yl]-2-(2-methylpropoxy)benzene.

Molecular Properties

Compound Name1-[(Z)-hept-5-en-3-yl]-2-(2-methylpropoxy)benzene
PubChem CID83932482
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-[(Z)-hept-5-en-3-yl]-2-(2-methylpropoxy)benzene
SMILESC/C=C\CC(CC)c1ccccc1OCC(C)C
InChIInChI=1S/C17H26O/c1-5-7-10-15(6-2)16-11-8-9-12-17(16)18-13-14(3)4/h5,7-9,11-12,14-15H,6,10,13H2,1-4H3/b7-5-
InChIKeyWCLJRAUUGTWNDS-ALCCZGGFSA-N
XLogP5.18
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 ≤ 55.18
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-[2-(2-methylpropoxy)phenyl]hexane-1,2-diol
CID 83932510
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
methyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate
CID 83932519
1-methoxy-2-[(E)-oct-6-en-4-yl]benzene
CID 142273894
N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine
CID 43279591
1-hept-1-yn-4-yl-2-(2-methylpropoxy)benzene
CID 83932475
1-hex-5-en-3-yl-2-methoxybenzene
CID 83929060
(1S)-1-(2-but-2-enoxyphenyl)propan-1-ol
CID 78930646
1-[2-[(E)-but-2-enoxy]phenyl]ethanol
CID 43504052
2-ethoxy-6-[(Z)-hex-4-en-2-yl]phenol
CID 83930787
1-(3-methylhex-4-yn-2-yl)-2-(2-methylpropoxy)benzene
CID 83932479
2-[2-(2-methylpropoxy)phenyl]octane-4,5-diol
CID 83932516

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-hept-5-en-3-yl]-2-(2-methylpropoxy)benzene?
The IUPAC name of 1-[(Z)-hept-5-en-3-yl]-2-(2-methylpropoxy)benzene (CID 83932482) is 1-[(Z)-hept-5-en-3-yl]-2-(2-methylpropoxy)benzene.
What is the SMILES notation for 1-[(Z)-hept-5-en-3-yl]-2-(2-methylpropoxy)benzene?
The canonical SMILES for 1-[(Z)-hept-5-en-3-yl]-2-(2-methylpropoxy)benzene is C/C=C\CC(CC)c1ccccc1OCC(C)C.
What is the InChIKey of 1-[(Z)-hept-5-en-3-yl]-2-(2-methylpropoxy)benzene?
The InChIKey is WCLJRAUUGTWNDS-ALCCZGGFSA-N. The full InChI is InChI=1S/C17H26O/c1-5-7-10-15(6-2)16-11-8-9-12-17(16)18-13-14(3)4/h5,7-9,11-12,14-15H,6,10,13H2,1-4H3/b7-5-.
What are the key properties of 1-[(Z)-hept-5-en-3-yl]-2-(2-methylpropoxy)benzene?
1-[(Z)-hept-5-en-3-yl]-2-(2-methylpropoxy)benzene has a molecular weight of 246.39 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-hept-5-en-3-yl]-2-(2-methylpropoxy)benzene is sourced from PubChem (CID 83932482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).