(1Z)-7-[(4-methoxyphenyl)methoxy]-1-methylcyclohexadecene

C25H40O2 — CID 163319777

IUPAC(1Z)-7-[(4-methoxyphenyl)methoxy]-1-methylcyclohexadecene
SMILESCOc1ccc(COC2CCCC/C=C(/C)CCCCCCCCC2)cc1
InChIInChI=1S/C25H40O2/c1-22-13-9-6-4-3-5-7-11-15-25(16-12-8-10-14-22)27-21-23-17-19-24(26-2)20-18-23/h14,17-20,25H,3-13,15-16,21H2,1-2H3/b22-14-
InChIKeyRREZVVXLRCYDPQ-HMAPJEAMSA-N
MW372.59 g/mol
LogP7.61
Rot. Bonds4

About (1Z)-7-[(4-methoxyphenyl)methoxy]-1-methylcyclohexadecene

(1Z)-7-[(4-methoxyphenyl)methoxy]-1-methylcyclohexadecene (PubChem CID 163319777) has the molecular formula C25H40O2 and a molecular weight of 372.59 g/mol. Its IUPAC name is (1Z)-7-[(4-methoxyphenyl)methoxy]-1-methylcyclohexadecene.

Molecular Properties

Compound Name(1Z)-7-[(4-methoxyphenyl)methoxy]-1-methylcyclohexadecene
PubChem CID163319777
Molecular FormulaC25H40O2
Molecular Weight372.59 g/mol
Exact Mass372.30
IUPAC Name(1Z)-7-[(4-methoxyphenyl)methoxy]-1-methylcyclohexadecene
SMILESCOc1ccc(COC2CCCC/C=C(/C)CCCCCCCCC2)cc1
InChIInChI=1S/C25H40O2/c1-22-13-9-6-4-3-5-7-11-15-25(16-12-8-10-14-22)27-21-23-17-19-24(26-2)20-18-23/h14,17-20,25H,3-13,15-16,21H2,1-2H3/b22-14-
InChIKeyRREZVVXLRCYDPQ-HMAPJEAMSA-N
XLogP7.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.59
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol
CID 16720719
2-[(4-methoxyphenyl)methoxy]cyclohexan-1-one
CID 11149013
4-(cyclohexyloxymethyl)benzenethiol
CID 91656879
[4-(cycloheptyloxymethyl)phenyl]methanamine
CID 61069356
[4-(cycloheptyloxymethyl)phenyl]-trimethylsilane
CID 103438663
3-[(4-methoxyphenyl)methoxy]-1-methylazetidine
CID 20517347
2-(cyclohexyloxymethyl)naphthalene
CID 10705229
1-[4-(cyclopentyloxymethyl)phenyl]-N-methylmethanamine
CID 62445200
(4S,8S)-4-[(4-methoxyphenyl)methoxy]-8-methyloxocan-2-one
CID 11097870
3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde
CID 118050407
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052

Frequently Asked Questions

What is the IUPAC name of (1Z)-7-[(4-methoxyphenyl)methoxy]-1-methylcyclohexadecene?
The IUPAC name of (1Z)-7-[(4-methoxyphenyl)methoxy]-1-methylcyclohexadecene (CID 163319777) is (1Z)-7-[(4-methoxyphenyl)methoxy]-1-methylcyclohexadecene.
What is the SMILES notation for (1Z)-7-[(4-methoxyphenyl)methoxy]-1-methylcyclohexadecene?
The canonical SMILES for (1Z)-7-[(4-methoxyphenyl)methoxy]-1-methylcyclohexadecene is COc1ccc(COC2CCCC/C=C(/C)CCCCCCCCC2)cc1.
What is the InChIKey of (1Z)-7-[(4-methoxyphenyl)methoxy]-1-methylcyclohexadecene?
The InChIKey is RREZVVXLRCYDPQ-HMAPJEAMSA-N. The full InChI is InChI=1S/C25H40O2/c1-22-13-9-6-4-3-5-7-11-15-25(16-12-8-10-14-22)27-21-23-17-19-24(26-2)20-18-23/h14,17-20,25H,3-13,15-16,21H2,1-2H3/b22-14-.
What are the key properties of (1Z)-7-[(4-methoxyphenyl)methoxy]-1-methylcyclohexadecene?
(1Z)-7-[(4-methoxyphenyl)methoxy]-1-methylcyclohexadecene has a molecular weight of 372.59 g/mol, XLogP of 7.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-7-[(4-methoxyphenyl)methoxy]-1-methylcyclohexadecene is sourced from PubChem (CID 163319777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).