cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol

C16H36O4 — CID 19012640

IUPACcyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol
SMILESC1CCCCC1.CO.CO.OCC1CCC(CO)CC1
InChIInChI=1S/C8H16O2.C6H12.2CH4O/c9-5-7-1-2-8(6-10)4-3-7;1-2-4-6-5-3-1;2*1-2/h7-10H,1-6H2;1-6H2;2*2H,1H3
InChIKeySKAVEYIADGPFAI-UHFFFAOYSA-N
MW292.46 g/mol
LogP2.34
Rot. Bonds2

About cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol

cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol (PubChem CID 19012640) has the molecular formula C16H36O4 and a molecular weight of 292.46 g/mol. Its IUPAC name is cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol.

Molecular Properties

Compound Namecyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol
PubChem CID19012640
Molecular FormulaC16H36O4
Molecular Weight292.46 g/mol
Exact Mass292.26
IUPAC Namecyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol
SMILESC1CCCCC1.CO.CO.OCC1CCC(CO)CC1
InChIInChI=1S/C8H16O2.C6H12.2CH4O/c9-5-7-1-2-8(6-10)4-3-7;1-2-4-6-5-3-1;2*1-2/h7-10H,1-6H2;1-6H2;2*2H,1H3
InChIKeySKAVEYIADGPFAI-UHFFFAOYSA-N
XLogP2.34
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl)methanol
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4-(hydroxymethyl)cyclohexane-1-carbaldehyde
CID 523023
cyclohexylmethanol;sulfuric acid
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[4-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]cyclohexyl]methanol
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buta-1,3-diene;[4-(hydroxymethyl)cyclohexyl]methanol
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Frequently Asked Questions

What is the IUPAC name of cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol?
The IUPAC name of cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol (CID 19012640) is cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol.
What is the SMILES notation for cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol?
The canonical SMILES for cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol is C1CCCCC1.CO.CO.OCC1CCC(CO)CC1.
What is the InChIKey of cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol?
The InChIKey is SKAVEYIADGPFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C6H12.2CH4O/c9-5-7-1-2-8(6-10)4-3-7;1-2-4-6-5-3-1;2*1-2/h7-10H,1-6H2;1-6H2;2*2H,1H3.
What are the key properties of cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol?
cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol has a molecular weight of 292.46 g/mol, XLogP of 2.34, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol is sourced from PubChem (CID 19012640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).