3-methyl-1-phenylmethoxycyclopentadecene

C23H36O — CID 68819057

IUPAC3-methyl-1-phenylmethoxycyclopentadecene
SMILESCC1C=C(OCc2ccccc2)CCCCCCCCCCCC1
InChIInChI=1S/C23H36O/c1-21-15-11-8-6-4-2-3-5-7-9-14-18-23(19-21)24-20-22-16-12-10-13-17-22/h10,12-13,16-17,19,21H,2-9,11,14-15,18,20H2,1H3
InChIKeyAKAACJDXYAZYHJ-UHFFFAOYSA-N
MW328.54 g/mol
LogP7.42
Rot. Bonds3

About 3-methyl-1-phenylmethoxycyclopentadecene

3-methyl-1-phenylmethoxycyclopentadecene (PubChem CID 68819057) has the molecular formula C23H36O and a molecular weight of 328.54 g/mol. Its IUPAC name is 3-methyl-1-phenylmethoxycyclopentadecene.

Molecular Properties

Compound Name3-methyl-1-phenylmethoxycyclopentadecene
PubChem CID68819057
Molecular FormulaC23H36O
Molecular Weight328.54 g/mol
Exact Mass328.28
IUPAC Name3-methyl-1-phenylmethoxycyclopentadecene
SMILESCC1C=C(OCc2ccccc2)CCCCCCCCCCCC1
InChIInChI=1S/C23H36O/c1-21-15-11-8-6-4-2-3-5-7-9-14-18-23(19-21)24-20-22-16-12-10-13-17-22/h10,12-13,16-17,19,21H,2-9,11,14-15,18,20H2,1H3
InChIKeyAKAACJDXYAZYHJ-UHFFFAOYSA-N
XLogP7.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

benzyl [(1Z)-3-methylcyclopentadecen-1-yl] carbonate
CID 87587531
triethyl-(3-methylcyclopentadecen-1-yl)oxysilane
CID 68818523
methyl 2-(3-phenylmethoxy-7-bicyclo[4.1.0]hept-2-enyl)acetate
CID 14087815
(6S)-6-phenyl-4-phenylmethoxy-3,6-dihydro-2H-pyran
CID 146166263
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
(4R)-18-hydroxy-4-methyl-16-phenylmethoxy-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one
CID 134918957
(5S)-5-methyl-13,15-bis(phenylmethoxy)-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
CID 46187395
3-cyclooctyl-2-phenylmethoxypyridine
CID 163522347
ethyl (3-methylcyclopentadecen-1-yl) carbonate
CID 68857639
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
azane;cyclopentyloxymethylbenzene
CID 69411306
2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine
CID 83973210

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenylmethoxycyclopentadecene?
The IUPAC name of 3-methyl-1-phenylmethoxycyclopentadecene (CID 68819057) is 3-methyl-1-phenylmethoxycyclopentadecene.
What is the SMILES notation for 3-methyl-1-phenylmethoxycyclopentadecene?
The canonical SMILES for 3-methyl-1-phenylmethoxycyclopentadecene is CC1C=C(OCc2ccccc2)CCCCCCCCCCCC1.
What is the InChIKey of 3-methyl-1-phenylmethoxycyclopentadecene?
The InChIKey is AKAACJDXYAZYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O/c1-21-15-11-8-6-4-2-3-5-7-9-14-18-23(19-21)24-20-22-16-12-10-13-17-22/h10,12-13,16-17,19,21H,2-9,11,14-15,18,20H2,1H3.
What are the key properties of 3-methyl-1-phenylmethoxycyclopentadecene?
3-methyl-1-phenylmethoxycyclopentadecene has a molecular weight of 328.54 g/mol, XLogP of 7.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenylmethoxycyclopentadecene is sourced from PubChem (CID 68819057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).