2-(4,4-diethylcyclohexyl)ethane-1,1-diol

C12H24O2 — CID 123911610

IUPAC2-(4,4-diethylcyclohexyl)ethane-1,1-diol
SMILESCCC1(CC)CCC(CC(O)O)CC1
InChIInChI=1S/C12H24O2/c1-3-12(4-2)7-5-10(6-8-12)9-11(13)14/h10-11,13-14H,3-9H2,1-2H3
InChIKeyNPILIBLJJWQUSG-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.68
Rot. Bonds4

About 2-(4,4-diethylcyclohexyl)ethane-1,1-diol

2-(4,4-diethylcyclohexyl)ethane-1,1-diol (PubChem CID 123911610) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-(4,4-diethylcyclohexyl)ethane-1,1-diol.

Molecular Properties

Compound Name2-(4,4-diethylcyclohexyl)ethane-1,1-diol
PubChem CID123911610
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-(4,4-diethylcyclohexyl)ethane-1,1-diol
SMILESCCC1(CC)CCC(CC(O)O)CC1
InChIInChI=1S/C12H24O2/c1-3-12(4-2)7-5-10(6-8-12)9-11(13)14/h10-11,13-14H,3-9H2,1-2H3
InChIKeyNPILIBLJJWQUSG-UHFFFAOYSA-N
XLogP2.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4,4-diethylcyclohexyl)acetic acid
CID 123185635
3,3-diethylcyclopentan-1-amine;methanol
CID 174812528
1-(3,3-diethylcyclopentyl)ethanethiol
CID 88538499
1-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)ethanamine
CID 63913044
1,3-diethyl-1-(2-methylbutyl)cyclopentane
CID 123267879
2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone
CID 63163435
1,1-diethylcyclopropane;ethane;propane
CID 162386463
4-ethyl-4-propylcyclohexan-1-ol
CID 91476830
1-[4-(2-hydroxypropyl)cyclohexyl]propan-2-ol
CID 19387430
1-butyl-1,3-diethylcyclopentane
CID 144986630
(1-ethylcyclopentyl)-(4-methylcyclohexyl)methanol
CID 115805271
4-butyl-1-(chloromethyl)-1-ethylcyclohexane
CID 66035295

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethylcyclohexyl)ethane-1,1-diol?
The IUPAC name of 2-(4,4-diethylcyclohexyl)ethane-1,1-diol (CID 123911610) is 2-(4,4-diethylcyclohexyl)ethane-1,1-diol.
What is the SMILES notation for 2-(4,4-diethylcyclohexyl)ethane-1,1-diol?
The canonical SMILES for 2-(4,4-diethylcyclohexyl)ethane-1,1-diol is CCC1(CC)CCC(CC(O)O)CC1.
What is the InChIKey of 2-(4,4-diethylcyclohexyl)ethane-1,1-diol?
The InChIKey is NPILIBLJJWQUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-12(4-2)7-5-10(6-8-12)9-11(13)14/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of 2-(4,4-diethylcyclohexyl)ethane-1,1-diol?
2-(4,4-diethylcyclohexyl)ethane-1,1-diol has a molecular weight of 200.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethylcyclohexyl)ethane-1,1-diol is sourced from PubChem (CID 123911610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).