2,3-dicyclohexylbutane-2,3-diol

C16H30O2 — CID 50741678

IUPAC2,3-dicyclohexylbutane-2,3-diol
SMILESCC(O)(C1CCCCC1)C(C)(O)C1CCCCC1
InChIInChI=1S/C16H30O2/c1-15(17,13-9-5-3-6-10-13)16(2,18)14-11-7-4-8-12-14/h13-14,17-18H,3-12H2,1-2H3
InChIKeyNVGONKHUJZLNDX-UHFFFAOYSA-N
MW254.41 g/mol
LogP3.65
Rot. Bonds3

About 2,3-dicyclohexylbutane-2,3-diol

2,3-dicyclohexylbutane-2,3-diol (PubChem CID 50741678) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2,3-dicyclohexylbutane-2,3-diol.

Molecular Properties

Compound Name2,3-dicyclohexylbutane-2,3-diol
PubChem CID50741678
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2,3-dicyclohexylbutane-2,3-diol
SMILESCC(O)(C1CCCCC1)C(C)(O)C1CCCCC1
InChIInChI=1S/C16H30O2/c1-15(17,13-9-5-3-6-10-13)16(2,18)14-11-7-4-8-12-14/h13-14,17-18H,3-12H2,1-2H3
InChIKeyNVGONKHUJZLNDX-UHFFFAOYSA-N
XLogP3.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 27966
3-amino-2-cyclopentyl-3-methylbutan-2-ol
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3-cyclopentyl-3-hydroxy-2,2-dimethylbutanoic acid
CID 105452917
2-cyclobutyl-1,1,1-trifluoropropan-2-ol
CID 130685158
tert-butylcyclopentadecane
CID 164774831
2-cyclohexylbutan-2-ol
CID 14023764
(2S)-1-amino-2-cyclohexylpropan-2-ol
CID 93298138
1-cyclohexyl-1-(oxan-4-yl)ethanol
CID 114794901
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CID 90817555

Frequently Asked Questions

What is the IUPAC name of 2,3-dicyclohexylbutane-2,3-diol?
The IUPAC name of 2,3-dicyclohexylbutane-2,3-diol (CID 50741678) is 2,3-dicyclohexylbutane-2,3-diol.
What is the SMILES notation for 2,3-dicyclohexylbutane-2,3-diol?
The canonical SMILES for 2,3-dicyclohexylbutane-2,3-diol is CC(O)(C1CCCCC1)C(C)(O)C1CCCCC1.
What is the InChIKey of 2,3-dicyclohexylbutane-2,3-diol?
The InChIKey is NVGONKHUJZLNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-15(17,13-9-5-3-6-10-13)16(2,18)14-11-7-4-8-12-14/h13-14,17-18H,3-12H2,1-2H3.
What are the key properties of 2,3-dicyclohexylbutane-2,3-diol?
2,3-dicyclohexylbutane-2,3-diol has a molecular weight of 254.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dicyclohexylbutane-2,3-diol is sourced from PubChem (CID 50741678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).