4,4-dipropylcyclohexane-1,1-diol

C12H24O2 — CID 154182063

IUPAC4,4-dipropylcyclohexane-1,1-diol
SMILESCCCC1(CCC)CCC(O)(O)CC1
InChIInChI=1S/C12H24O2/c1-3-5-11(6-4-2)7-9-12(13,14)10-8-11/h13-14H,3-10H2,1-2H3
InChIKeyDOBDHVOSSBVIOG-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.83
Rot. Bonds4

About 4,4-dipropylcyclohexane-1,1-diol

4,4-dipropylcyclohexane-1,1-diol (PubChem CID 154182063) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 4,4-dipropylcyclohexane-1,1-diol.

Molecular Properties

Compound Name4,4-dipropylcyclohexane-1,1-diol
PubChem CID154182063
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name4,4-dipropylcyclohexane-1,1-diol
SMILESCCCC1(CCC)CCC(O)(O)CC1
InChIInChI=1S/C12H24O2/c1-3-5-11(6-4-2)7-9-12(13,14)10-8-11/h13-14H,3-10H2,1-2H3
InChIKeyDOBDHVOSSBVIOG-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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

1-Tert-butylcyclohexan-1-ol
CID 287917
Dimethylcyclohexandiol
CID 19096530
1-(3-Hydroxy-3-methylbutyl)cyclohexan-1-ol
CID 57305534
Dihydroxycyclohexylpropane
CID 67461264
Spiro[4.5]decane-4,4-diol
CID 90704370
Dioxyspiro[5.5]undecane
CID 129802069
4-Ethyl-4-methylcyclohexane-1,1-diol
CID 137552732
1-Hydroxy-alpha,alpha-dimethyl-cyclohexaneethanol
CID 12709673
1-Methoxyspiro[2.5]octan-1-ol
CID 13086992
1-(5-Hydroxy-5-methylhexyl)cyclohexan-1-ol
CID 10751149
1-(2,2-Dimethylpropyl)cyclohexan-1-ol
CID 13319062
1-Butyl-4,4-dimethylcyclohexan-1-ol
CID 14087173

Frequently Asked Questions

What is the IUPAC name of 4,4-dipropylcyclohexane-1,1-diol?
The IUPAC name of 4,4-dipropylcyclohexane-1,1-diol (CID 154182063) is 4,4-dipropylcyclohexane-1,1-diol.
What is the SMILES notation for 4,4-dipropylcyclohexane-1,1-diol?
The canonical SMILES for 4,4-dipropylcyclohexane-1,1-diol is CCCC1(CCC)CCC(O)(O)CC1.
What is the InChIKey of 4,4-dipropylcyclohexane-1,1-diol?
The InChIKey is DOBDHVOSSBVIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-5-11(6-4-2)7-9-12(13,14)10-8-11/h13-14H,3-10H2,1-2H3.
What are the key properties of 4,4-dipropylcyclohexane-1,1-diol?
4,4-dipropylcyclohexane-1,1-diol has a molecular weight of 200.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dipropylcyclohexane-1,1-diol is sourced from PubChem (CID 154182063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).