[(E)-1-methoxy-3,5-dimethyl-4-methylidenehept-5-en-3-yl]benzene

C17H24O — CID 142905002

IUPAC[(E)-1-methoxy-3,5-dimethyl-4-methylidenehept-5-en-3-yl]benzene
SMILESC=C(/C(C)=C/C)C(C)(CCOC)c1ccccc1
InChIInChI=1S/C17H24O/c1-6-14(2)15(3)17(4,12-13-18-5)16-10-8-7-9-11-16/h6-11H,3,12-13H2,1-2,4-5H3/b14-6+
InChIKeySIJSCHDPJZEECG-MKMNVTDBSA-N
MW244.38 g/mol
LogP4.50
Rot. Bonds6

About [(E)-1-methoxy-3,5-dimethyl-4-methylidenehept-5-en-3-yl]benzene

[(E)-1-methoxy-3,5-dimethyl-4-methylidenehept-5-en-3-yl]benzene (PubChem CID 142905002) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is [(E)-1-methoxy-3,5-dimethyl-4-methylidenehept-5-en-3-yl]benzene.

Molecular Properties

Compound Name[(E)-1-methoxy-3,5-dimethyl-4-methylidenehept-5-en-3-yl]benzene
PubChem CID142905002
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name[(E)-1-methoxy-3,5-dimethyl-4-methylidenehept-5-en-3-yl]benzene
SMILESC=C(/C(C)=C/C)C(C)(CCOC)c1ccccc1
InChIInChI=1S/C17H24O/c1-6-14(2)15(3)17(4,12-13-18-5)16-10-8-7-9-11-16/h6-11H,3,12-13H2,1-2,4-5H3/b14-6+
InChIKeySIJSCHDPJZEECG-MKMNVTDBSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-1-methoxy-3,4,4-trimethylpentan-3-yl]benzene
CID 158389580
3,11-dimethyl-2,12-dimethylidene-7-oxo-3,11-diphenyltridecanedioic acid
CID 20631100
(6-methoxy-2,3-dimethyl-2-phenylhexan-3-yl)benzene
CID 170451960
[(3S)-7-methoxy-2,2,3-trimethylheptan-3-yl]benzene
CID 159915288
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
3-methyl-3-phenylhept-6-en-2-one
CID 101199283
(2-methoxy-5-phenylhex-5-en-2-yl)benzene
CID 71382828
2,4-dimethyl-2-phenylpent-4-enoic acid
CID 69253057
3,5-dimethyl-3-phenylhex-5-en-2-one
CID 59318271
2-benzyl-2-(2-methoxyethyl)propane-1,3-diol
CID 79450709
2-(ethylamino)-4-methoxy-2-phenylbutanenitrile
CID 116692894
1-amino-4-(2-methoxyethoxy)-1-phenylbutan-1-ol
CID 19098989

Frequently Asked Questions

What is the IUPAC name of [(E)-1-methoxy-3,5-dimethyl-4-methylidenehept-5-en-3-yl]benzene?
The IUPAC name of [(E)-1-methoxy-3,5-dimethyl-4-methylidenehept-5-en-3-yl]benzene (CID 142905002) is [(E)-1-methoxy-3,5-dimethyl-4-methylidenehept-5-en-3-yl]benzene.
What is the SMILES notation for [(E)-1-methoxy-3,5-dimethyl-4-methylidenehept-5-en-3-yl]benzene?
The canonical SMILES for [(E)-1-methoxy-3,5-dimethyl-4-methylidenehept-5-en-3-yl]benzene is C=C(/C(C)=C/C)C(C)(CCOC)c1ccccc1.
What is the InChIKey of [(E)-1-methoxy-3,5-dimethyl-4-methylidenehept-5-en-3-yl]benzene?
The InChIKey is SIJSCHDPJZEECG-MKMNVTDBSA-N. The full InChI is InChI=1S/C17H24O/c1-6-14(2)15(3)17(4,12-13-18-5)16-10-8-7-9-11-16/h6-11H,3,12-13H2,1-2,4-5H3/b14-6+.
What are the key properties of [(E)-1-methoxy-3,5-dimethyl-4-methylidenehept-5-en-3-yl]benzene?
[(E)-1-methoxy-3,5-dimethyl-4-methylidenehept-5-en-3-yl]benzene has a molecular weight of 244.38 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-methoxy-3,5-dimethyl-4-methylidenehept-5-en-3-yl]benzene is sourced from PubChem (CID 142905002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).