cyclohexyl-[1-(1,3-dioxolan-2-yl)cyclohexyl]methanol

C16H28O3 — CID 141162952

IUPACcyclohexyl-[1-(1,3-dioxolan-2-yl)cyclohexyl]methanol
SMILESOC(C1CCCCC1)C1(C2OCCO2)CCCCC1
InChIInChI=1S/C16H28O3/c17-14(13-7-3-1-4-8-13)16(9-5-2-6-10-16)15-18-11-12-19-15/h13-15,17H,1-12H2
InChIKeyYPEJLQQYPDZFNY-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.25
Rot. Bonds3

About cyclohexyl-[1-(1,3-dioxolan-2-yl)cyclohexyl]methanol

cyclohexyl-[1-(1,3-dioxolan-2-yl)cyclohexyl]methanol (PubChem CID 141162952) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is cyclohexyl-[1-(1,3-dioxolan-2-yl)cyclohexyl]methanol.

Molecular Properties

Compound Namecyclohexyl-[1-(1,3-dioxolan-2-yl)cyclohexyl]methanol
PubChem CID141162952
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Namecyclohexyl-[1-(1,3-dioxolan-2-yl)cyclohexyl]methanol
SMILESOC(C1CCCCC1)C1(C2OCCO2)CCCCC1
InChIInChI=1S/C16H28O3/c17-14(13-7-3-1-4-8-13)16(9-5-2-6-10-16)15-18-11-12-19-15/h13-15,17H,1-12H2
InChIKeyYPEJLQQYPDZFNY-UHFFFAOYSA-N
XLogP3.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclohexyl(hydroxy)methyl]cycloheptan-1-ol
CID 103451987
cyclohexyl-[1-(oxan-2-yloxy)cyclopropyl]methanol
CID 134894631
(S)-cyclohexyl-(1-trimethylsilylcyclopropyl)methanol
CID 99771566
1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol
CID 103452199
1-[cyclopentyl(hydroxy)methyl]cyclobutane-1-carbonitrile
CID 79132459
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
1-[cycloheptyl(hydroxy)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile
CID 79128745
(S)-cyclohexyl-[(2S)-oxolan-2-yl]methanol
CID 11240858
1-[hydroxy(oxan-3-yl)methyl]cyclopentan-1-ol
CID 107136247
1-[hydroxy(oxolan-3-yl)methyl]cyclooctane-1-carbonitrile
CID 80603929
1-[hydroxy(oxolan-3-yl)methyl]cycloheptane-1-carbonitrile
CID 79136550
4-tert-butyl-1-[cyclohexyl(hydroxy)methyl]cyclohexane-1-carbonitrile
CID 79137065

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[1-(1,3-dioxolan-2-yl)cyclohexyl]methanol?
The IUPAC name of cyclohexyl-[1-(1,3-dioxolan-2-yl)cyclohexyl]methanol (CID 141162952) is cyclohexyl-[1-(1,3-dioxolan-2-yl)cyclohexyl]methanol.
What is the SMILES notation for cyclohexyl-[1-(1,3-dioxolan-2-yl)cyclohexyl]methanol?
The canonical SMILES for cyclohexyl-[1-(1,3-dioxolan-2-yl)cyclohexyl]methanol is OC(C1CCCCC1)C1(C2OCCO2)CCCCC1.
What is the InChIKey of cyclohexyl-[1-(1,3-dioxolan-2-yl)cyclohexyl]methanol?
The InChIKey is YPEJLQQYPDZFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c17-14(13-7-3-1-4-8-13)16(9-5-2-6-10-16)15-18-11-12-19-15/h13-15,17H,1-12H2.
What are the key properties of cyclohexyl-[1-(1,3-dioxolan-2-yl)cyclohexyl]methanol?
cyclohexyl-[1-(1,3-dioxolan-2-yl)cyclohexyl]methanol has a molecular weight of 268.40 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[1-(1,3-dioxolan-2-yl)cyclohexyl]methanol is sourced from PubChem (CID 141162952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).