3-cyclododecylbutan-2-ol

C16H32O — CID 10444334

IUPAC3-cyclododecylbutan-2-ol
SMILESCC(O)C(C)C1CCCCCCCCCCC1
InChIInChI=1S/C16H32O/c1-14(15(2)17)16-12-10-8-6-4-3-5-7-9-11-13-16/h14-17H,3-13H2,1-2H3
InChIKeyLFTJDPRTLFJVFY-UHFFFAOYSA-N
MW240.43 g/mol
LogP4.92
Rot. Bonds2

About 3-cyclododecylbutan-2-ol

3-cyclododecylbutan-2-ol (PubChem CID 10444334) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-cyclododecylbutan-2-ol.

Molecular Properties

Compound Name3-cyclododecylbutan-2-ol
PubChem CID10444334
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name3-cyclododecylbutan-2-ol
SMILESCC(O)C(C)C1CCCCCCCCCCC1
InChIInChI=1S/C16H32O/c1-14(15(2)17)16-12-10-8-6-4-3-5-7-9-11-13-16/h14-17H,3-13H2,1-2H3
InChIKeyLFTJDPRTLFJVFY-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclobutylbutan-2-ol
CID 54399039
(3S)-3-cyclopropylbutan-2-ol
CID 175219475
1-cycloheptylpropane-1,2-diol
CID 103452573
3-piperidin-4-ylbutan-2-ol
CID 154192279
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
1-cyclohexyl-1-(methylamino)propan-2-ol
CID 116859518
1-cyclohexyl-1-propan-2-yloxypropan-2-ol
CID 67782427
(2R)-2-cyclohexylpropan-1-ol
CID 10176192
methane;propan-2-ylcyclotetradecane
CID 159882779
[(2R)-3-methylbutan-2-yl]cyclopentane
CID 59954478
1-cyclopentylethylcyclohexane
CID 57034702
(2R,3S)-2-cyclohexyl-3-hydroxybutanoic acid
CID 14660744

Frequently Asked Questions

What is the IUPAC name of 3-cyclododecylbutan-2-ol?
The IUPAC name of 3-cyclododecylbutan-2-ol (CID 10444334) is 3-cyclododecylbutan-2-ol.
What is the SMILES notation for 3-cyclododecylbutan-2-ol?
The canonical SMILES for 3-cyclododecylbutan-2-ol is CC(O)C(C)C1CCCCCCCCCCC1.
What is the InChIKey of 3-cyclododecylbutan-2-ol?
The InChIKey is LFTJDPRTLFJVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-14(15(2)17)16-12-10-8-6-4-3-5-7-9-11-13-16/h14-17H,3-13H2,1-2H3.
What are the key properties of 3-cyclododecylbutan-2-ol?
3-cyclododecylbutan-2-ol has a molecular weight of 240.43 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclododecylbutan-2-ol is sourced from PubChem (CID 10444334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).