4-cyclohexylpentan-2-ylbenzene;ethane;methanol

C23H46O2 — CID 90992156

IUPAC4-cyclohexylpentan-2-ylbenzene;ethane;methanol
SMILESCC.CC.CC(CC(C)C1CCCCC1)c1ccccc1.CO.CO
InChIInChI=1S/C17H26.2C2H6.2CH4O/c1-14(16-9-5-3-6-10-16)13-15(2)17-11-7-4-8-12-17;4*1-2/h3,5-6,9-10,14-15,17H,4,7-8,11-13H2,1-2H3;2*1-2H3;2*2H,1H3
InChIKeyLXCXRXLQAGJRES-UHFFFAOYSA-N
MW354.62 g/mol
LogP6.67
Rot. Bonds4

About 4-cyclohexylpentan-2-ylbenzene;ethane;methanol

4-cyclohexylpentan-2-ylbenzene;ethane;methanol (PubChem CID 90992156) has the molecular formula C23H46O2 and a molecular weight of 354.62 g/mol. Its IUPAC name is 4-cyclohexylpentan-2-ylbenzene;ethane;methanol.

Molecular Properties

Compound Name4-cyclohexylpentan-2-ylbenzene;ethane;methanol
PubChem CID90992156
Molecular FormulaC23H46O2
Molecular Weight354.62 g/mol
Exact Mass354.35
IUPAC Name4-cyclohexylpentan-2-ylbenzene;ethane;methanol
SMILESCC.CC.CC(CC(C)C1CCCCC1)c1ccccc1.CO.CO
InChIInChI=1S/C17H26.2C2H6.2CH4O/c1-14(16-9-5-3-6-10-16)13-15(2)17-11-7-4-8-12-17;4*1-2/h3,5-6,9-10,14-15,17H,4,7-8,11-13H2,1-2H3;2*1-2H3;2*2H,1H3
InChIKeyLXCXRXLQAGJRES-UHFFFAOYSA-N
XLogP6.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4R)-4-cyclobutylpentan-2-yl]phenol
CID 142796254
4-cyclohexylpentan-2-yl(triphenyl)phosphanium
CID 89269199
2-cyclohexylpropylbenzene
CID 15846297
(1-cyclohexyl-3-phenylbutyl) sulfamate
CID 177472282
5-cyclohexylheptan-2-ylbenzene
CID 23597687
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine
CID 81384381
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
N-cyclohexyl-2-(2-phenylpropylamino)propanamide
CID 115569785
[(3R)-3-cyclohexylbutyl]benzene
CID 102579407
(1R,2R,3R)-1-cyclohexyl-2-methyl-3-phenylpropane-1,3-diol
CID 101021002

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylpentan-2-ylbenzene;ethane;methanol?
The IUPAC name of 4-cyclohexylpentan-2-ylbenzene;ethane;methanol (CID 90992156) is 4-cyclohexylpentan-2-ylbenzene;ethane;methanol.
What is the SMILES notation for 4-cyclohexylpentan-2-ylbenzene;ethane;methanol?
The canonical SMILES for 4-cyclohexylpentan-2-ylbenzene;ethane;methanol is CC.CC.CC(CC(C)C1CCCCC1)c1ccccc1.CO.CO.
What is the InChIKey of 4-cyclohexylpentan-2-ylbenzene;ethane;methanol?
The InChIKey is LXCXRXLQAGJRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26.2C2H6.2CH4O/c1-14(16-9-5-3-6-10-16)13-15(2)17-11-7-4-8-12-17;4*1-2/h3,5-6,9-10,14-15,17H,4,7-8,11-13H2,1-2H3;2*1-2H3;2*2H,1H3.
What are the key properties of 4-cyclohexylpentan-2-ylbenzene;ethane;methanol?
4-cyclohexylpentan-2-ylbenzene;ethane;methanol has a molecular weight of 354.62 g/mol, XLogP of 6.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylpentan-2-ylbenzene;ethane;methanol is sourced from PubChem (CID 90992156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).