2-cyclohexyl-2-methylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol

C19H40O4 — CID 22666726

IUPAC2-cyclohexyl-2-methylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
SMILESCC(CO)(CO)C1CCCCC1.CCCC(CO)(CO)CCC
InChIInChI=1S/C10H20O2.C9H20O2/c1-10(7-11,8-12)9-5-3-2-4-6-9;1-3-5-9(7-10,8-11)6-4-2/h9,11-12H,2-8H2,1H3;10-11H,3-8H2,1-2H3
InChIKeySEIGAFKZOCUCAD-UHFFFAOYSA-N
MW332.53 g/mol
LogP3.12
Rot. Bonds9

About 2-cyclohexyl-2-methylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol

2-cyclohexyl-2-methylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol (PubChem CID 22666726) has the molecular formula C19H40O4 and a molecular weight of 332.53 g/mol. Its IUPAC name is 2-cyclohexyl-2-methylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol.

Molecular Properties

Compound Name2-cyclohexyl-2-methylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
PubChem CID22666726
Molecular FormulaC19H40O4
Molecular Weight332.53 g/mol
Exact Mass332.29
IUPAC Name2-cyclohexyl-2-methylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
SMILESCC(CO)(CO)C1CCCCC1.CCCC(CO)(CO)CCC
InChIInChI=1S/C10H20O2.C9H20O2/c1-10(7-11,8-12)9-5-3-2-4-6-9;1-3-5-9(7-10,8-11)6-4-2/h9,11-12H,2-8H2,1H3;10-11H,3-8H2,1-2H3
InChIKeySEIGAFKZOCUCAD-UHFFFAOYSA-N
XLogP3.12
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 79450280
4-cyclopentylheptan-4-ol
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2,2-dibutylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
CID 159748951
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CID 175490889
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-methylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol?
The IUPAC name of 2-cyclohexyl-2-methylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol (CID 22666726) is 2-cyclohexyl-2-methylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol.
What is the SMILES notation for 2-cyclohexyl-2-methylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol?
The canonical SMILES for 2-cyclohexyl-2-methylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol is CC(CO)(CO)C1CCCCC1.CCCC(CO)(CO)CCC.
What is the InChIKey of 2-cyclohexyl-2-methylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol?
The InChIKey is SEIGAFKZOCUCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C9H20O2/c1-10(7-11,8-12)9-5-3-2-4-6-9;1-3-5-9(7-10,8-11)6-4-2/h9,11-12H,2-8H2,1H3;10-11H,3-8H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-methylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol?
2-cyclohexyl-2-methylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol has a molecular weight of 332.53 g/mol, XLogP of 3.12, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol is sourced from PubChem (CID 22666726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).