1-[(Z)-3-methoxy-5-methylhept-3-en-4-yl]-3,5-dimethylbenzene

C17H26O — CID 176674966

IUPAC1-[(Z)-3-methoxy-5-methylhept-3-en-4-yl]-3,5-dimethylbenzene
SMILESCC/C(OC)=C(/c1cc(C)cc(C)c1)C(C)CC
InChIInChI=1S/C17H26O/c1-7-14(5)17(16(8-2)18-6)15-10-12(3)9-13(4)11-15/h9-11,14H,7-8H2,1-6H3/b17-16-
InChIKeyYVGPIDFFFCMWPV-MSUUIHNZSA-N
MW246.39 g/mol
LogP5.12
Rot. Bonds5

About 1-[(Z)-3-methoxy-5-methylhept-3-en-4-yl]-3,5-dimethylbenzene

1-[(Z)-3-methoxy-5-methylhept-3-en-4-yl]-3,5-dimethylbenzene (PubChem CID 176674966) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-[(Z)-3-methoxy-5-methylhept-3-en-4-yl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[(Z)-3-methoxy-5-methylhept-3-en-4-yl]-3,5-dimethylbenzene
PubChem CID176674966
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-[(Z)-3-methoxy-5-methylhept-3-en-4-yl]-3,5-dimethylbenzene
SMILESCC/C(OC)=C(/c1cc(C)cc(C)c1)C(C)CC
InChIInChI=1S/C17H26O/c1-7-14(5)17(16(8-2)18-6)15-10-12(3)9-13(4)11-15/h9-11,14H,7-8H2,1-6H3/b17-16-
InChIKeyYVGPIDFFFCMWPV-MSUUIHNZSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(3,5-dimethylanilino) 2-methylbutanoate
CID 174714521
2-methylbutane;1,3,5-trimethylbenzene
CID 162176469
methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate
CID 55007974
1-(3,5-dimethylbenzoyl)peroxypropyl 3,5-dimethylbenzenecarboperoxoate
CID 173266460
2-[(3,5-dimethylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 60641481
3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 104852533
2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one
CID 43159904
1,1-diethoxyethane;1,3,5-trimethylbenzene
CID 66684886
(3,5-dimethylbenzoyl) 3,5-dimethylbenzoate
CID 11780991
1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
CID 145157940
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 54385024

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-methoxy-5-methylhept-3-en-4-yl]-3,5-dimethylbenzene?
The IUPAC name of 1-[(Z)-3-methoxy-5-methylhept-3-en-4-yl]-3,5-dimethylbenzene (CID 176674966) is 1-[(Z)-3-methoxy-5-methylhept-3-en-4-yl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[(Z)-3-methoxy-5-methylhept-3-en-4-yl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[(Z)-3-methoxy-5-methylhept-3-en-4-yl]-3,5-dimethylbenzene is CC/C(OC)=C(/c1cc(C)cc(C)c1)C(C)CC.
What is the InChIKey of 1-[(Z)-3-methoxy-5-methylhept-3-en-4-yl]-3,5-dimethylbenzene?
The InChIKey is YVGPIDFFFCMWPV-MSUUIHNZSA-N. The full InChI is InChI=1S/C17H26O/c1-7-14(5)17(16(8-2)18-6)15-10-12(3)9-13(4)11-15/h9-11,14H,7-8H2,1-6H3/b17-16-.
What are the key properties of 1-[(Z)-3-methoxy-5-methylhept-3-en-4-yl]-3,5-dimethylbenzene?
1-[(Z)-3-methoxy-5-methylhept-3-en-4-yl]-3,5-dimethylbenzene has a molecular weight of 246.39 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-methoxy-5-methylhept-3-en-4-yl]-3,5-dimethylbenzene is sourced from PubChem (CID 176674966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).