1,2-di(propan-2-yl)cyclohexane-1,4-diol

C12H24O2 — CID 174428698

IUPAC1,2-di(propan-2-yl)cyclohexane-1,4-diol
SMILESCC(C)C1CC(O)CCC1(O)C(C)C
InChIInChI=1S/C12H24O2/c1-8(2)11-7-10(13)5-6-12(11,14)9(3)4/h8-11,13-14H,5-7H2,1-4H3
InChIKeyWSTKMUZGRCCIMD-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.19
Rot. Bonds2

About 1,2-di(propan-2-yl)cyclohexane-1,4-diol

1,2-di(propan-2-yl)cyclohexane-1,4-diol (PubChem CID 174428698) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)cyclohexane-1,4-diol.

Molecular Properties

Compound Name1,2-di(propan-2-yl)cyclohexane-1,4-diol
PubChem CID174428698
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1,2-di(propan-2-yl)cyclohexane-1,4-diol
SMILESCC(C)C1CC(O)CCC1(O)C(C)C
InChIInChI=1S/C12H24O2/c1-8(2)11-7-10(13)5-6-12(11,14)9(3)4/h8-11,13-14H,5-7H2,1-4H3
InChIKeyWSTKMUZGRCCIMD-UHFFFAOYSA-N
XLogP2.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)cyclohexane-1,4-diol?
The IUPAC name of 1,2-di(propan-2-yl)cyclohexane-1,4-diol (CID 174428698) is 1,2-di(propan-2-yl)cyclohexane-1,4-diol.
What is the SMILES notation for 1,2-di(propan-2-yl)cyclohexane-1,4-diol?
The canonical SMILES for 1,2-di(propan-2-yl)cyclohexane-1,4-diol is CC(C)C1CC(O)CCC1(O)C(C)C.
What is the InChIKey of 1,2-di(propan-2-yl)cyclohexane-1,4-diol?
The InChIKey is WSTKMUZGRCCIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-8(2)11-7-10(13)5-6-12(11,14)9(3)4/h8-11,13-14H,5-7H2,1-4H3.
What are the key properties of 1,2-di(propan-2-yl)cyclohexane-1,4-diol?
1,2-di(propan-2-yl)cyclohexane-1,4-diol has a molecular weight of 200.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)cyclohexane-1,4-diol is sourced from PubChem (CID 174428698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).