propan-1-ol;1,1,3-trimethyl-2-propylcyclohexane

C15H32O — CID 67220237

IUPACpropan-1-ol;1,1,3-trimethyl-2-propylcyclohexane
SMILESCCCC1C(C)CCCC1(C)C.CCCO
InChIInChI=1S/C12H24.C3H8O/c1-5-7-11-10(2)8-6-9-12(11,3)4;1-2-3-4/h10-11H,5-9H2,1-4H3;4H,2-3H2,1H3
InChIKeyPXOGGIDIPNEFGZ-UHFFFAOYSA-N
MW228.42 g/mol
LogP4.64
Rot. Bonds3

About propan-1-ol;1,1,3-trimethyl-2-propylcyclohexane

propan-1-ol;1,1,3-trimethyl-2-propylcyclohexane (PubChem CID 67220237) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is propan-1-ol;1,1,3-trimethyl-2-propylcyclohexane.

Molecular Properties

Compound Namepropan-1-ol;1,1,3-trimethyl-2-propylcyclohexane
PubChem CID67220237
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Namepropan-1-ol;1,1,3-trimethyl-2-propylcyclohexane
SMILESCCCC1C(C)CCCC1(C)C.CCCO
InChIInChI=1S/C12H24.C3H8O/c1-5-7-11-10(2)8-6-9-12(11,3)4;1-2-3-4/h10-11H,5-9H2,1-4H3;4H,2-3H2,1H3
InChIKeyPXOGGIDIPNEFGZ-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,3-trimethyl-2-propylcyclopentane
CID 154529227
1-[(1S)-2,2,6-trimethylcyclohexyl]heptan-3-ol;1-(2,2,6-trimethylcyclohexyl)heptan-3-ol
CID 157202478
2-but-3-enyl-1,1,3-trimethylcyclohexane
CID 91050583
2-(3,7-dimethylnonyl)-1,1,3-trimethylcyclohexane
CID 71374334
cis-(2R,3S)-1,1,3-trimethyl-2-[(3S,7R,12S,16S)-3,7,12,16-tetramethyl-18-[(1R,6S)-2,2,6-trimethylcyclohexyl]octadecyl]cyclohexane
CID 162940926
cis-(2S,3R)-2-[(E)-but-2-enyl]-1,1,3-trimethylcyclohexane
CID 173431731
trans-(1R,2S)-2-tert-butylcyclohexan-1-ol;1-(2,2,6-trimethylcyclohexyl)hexan-3-ol
CID 118982407
[(1R,6S)-2,2,6-trimethylcyclohexyl]methanesulfonyl fluoride
CID 54229539
(E)-2-methyl-4-[(1S)-2,2,6-trimethylcyclohexyl]but-2-enal
CID 142322386
5-methyl-5-[2-(2,2,6-trimethylcyclohexyl)ethyl]oxolan-2-one
CID 177002568
2,4,4-trimethyl-3-[3,7,12,16-tetramethyl-18-(2,2,6-trimethylcyclohexyl)octadecyl]cyclohexan-1-ol
CID 70877793
3-(2,2,6-trimethylcyclohexyl)hexan-3-ol
CID 141103518

Frequently Asked Questions

What is the IUPAC name of propan-1-ol;1,1,3-trimethyl-2-propylcyclohexane?
The IUPAC name of propan-1-ol;1,1,3-trimethyl-2-propylcyclohexane (CID 67220237) is propan-1-ol;1,1,3-trimethyl-2-propylcyclohexane.
What is the SMILES notation for propan-1-ol;1,1,3-trimethyl-2-propylcyclohexane?
The canonical SMILES for propan-1-ol;1,1,3-trimethyl-2-propylcyclohexane is CCCC1C(C)CCCC1(C)C.CCCO.
What is the InChIKey of propan-1-ol;1,1,3-trimethyl-2-propylcyclohexane?
The InChIKey is PXOGGIDIPNEFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.C3H8O/c1-5-7-11-10(2)8-6-9-12(11,3)4;1-2-3-4/h10-11H,5-9H2,1-4H3;4H,2-3H2,1H3.
What are the key properties of propan-1-ol;1,1,3-trimethyl-2-propylcyclohexane?
propan-1-ol;1,1,3-trimethyl-2-propylcyclohexane has a molecular weight of 228.42 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-ol;1,1,3-trimethyl-2-propylcyclohexane is sourced from PubChem (CID 67220237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).