1-(1-hydroxycyclohexyl)-2,2,4-trimethylpentane-1,3-diol

C14H28O3 — CID 23168890

IUPAC1-(1-hydroxycyclohexyl)-2,2,4-trimethylpentane-1,3-diol
SMILESCC(C)C(O)C(C)(C)C(O)C1(O)CCCCC1
InChIInChI=1S/C14H28O3/c1-10(2)11(15)13(3,4)12(16)14(17)8-6-5-7-9-14/h10-12,15-17H,5-9H2,1-4H3
InChIKeyLZFUSRFZAXQPNM-UHFFFAOYSA-N
MW244.37 g/mol
LogP2.09
Rot. Bonds4

About 1-(1-hydroxycyclohexyl)-2,2,4-trimethylpentane-1,3-diol

1-(1-hydroxycyclohexyl)-2,2,4-trimethylpentane-1,3-diol (PubChem CID 23168890) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 1-(1-hydroxycyclohexyl)-2,2,4-trimethylpentane-1,3-diol.

Molecular Properties

Compound Name1-(1-hydroxycyclohexyl)-2,2,4-trimethylpentane-1,3-diol
PubChem CID23168890
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name1-(1-hydroxycyclohexyl)-2,2,4-trimethylpentane-1,3-diol
SMILESCC(C)C(O)C(C)(C)C(O)C1(O)CCCCC1
InChIInChI=1S/C14H28O3/c1-10(2)11(15)13(3,4)12(16)14(17)8-6-5-7-9-14/h10-12,15-17H,5-9H2,1-4H3
InChIKeyLZFUSRFZAXQPNM-UHFFFAOYSA-N
XLogP2.09
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Phytantriol
CID 3018525
1-Cyclohexyl-2,2-dimethylpropan-1-ol
CID 143868
1-(1-Hydroxyethyl)cyclohexanol
CID 232451
(7R,11R)-3,7,11,15-Tetramethyl-1,2,3-hexadecanetriol
CID 490372
Cyclohexanepropanol, alpha,beta,beta-trimethyl-
CID 175124
(1S)-1-(4,4-dimethylcyclohexyl)ethan-1-ol
CID 65391478
3,7-Dimethyl-1,6,7-octanetriol
CID 10997817
3,7-Dimethyl-1,2,3-octanetriol
CID 23390930
1,2-Octanediol, 7-methoxy-3,7-dimethyl-
CID 112490
1alpha-(Hydroxymethyl)-4beta-(1,2-dihydroxy-1-methylethyl)cyclohexane
CID 91255057
(1S,2S,4R)-4-tert-butylcyclohexane-1,2-diol
CID 13083806
(4-Tert-butyl-1-hydroperoxycyclohexyl)methanol
CID 101482094

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxycyclohexyl)-2,2,4-trimethylpentane-1,3-diol?
The IUPAC name of 1-(1-hydroxycyclohexyl)-2,2,4-trimethylpentane-1,3-diol (CID 23168890) is 1-(1-hydroxycyclohexyl)-2,2,4-trimethylpentane-1,3-diol.
What is the SMILES notation for 1-(1-hydroxycyclohexyl)-2,2,4-trimethylpentane-1,3-diol?
The canonical SMILES for 1-(1-hydroxycyclohexyl)-2,2,4-trimethylpentane-1,3-diol is CC(C)C(O)C(C)(C)C(O)C1(O)CCCCC1.
What is the InChIKey of 1-(1-hydroxycyclohexyl)-2,2,4-trimethylpentane-1,3-diol?
The InChIKey is LZFUSRFZAXQPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-10(2)11(15)13(3,4)12(16)14(17)8-6-5-7-9-14/h10-12,15-17H,5-9H2,1-4H3.
What are the key properties of 1-(1-hydroxycyclohexyl)-2,2,4-trimethylpentane-1,3-diol?
1-(1-hydroxycyclohexyl)-2,2,4-trimethylpentane-1,3-diol has a molecular weight of 244.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxycyclohexyl)-2,2,4-trimethylpentane-1,3-diol is sourced from PubChem (CID 23168890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).