methylcyclohexane;oxan-2-ylmethanol

C13H26O2 — CID 143263270

IUPACmethylcyclohexane;oxan-2-ylmethanol
SMILESCC1CCCCC1.OCC1CCCCO1
InChIInChI=1S/C7H14.C6H12O2/c1-7-5-3-2-4-6-7;7-5-6-3-1-2-4-8-6/h7H,2-6H2,1H3;6-7H,1-5H2
InChIKeyUYTAKQWNUTXVGN-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.13
Rot. Bonds1

About methylcyclohexane;oxan-2-ylmethanol

methylcyclohexane;oxan-2-ylmethanol (PubChem CID 143263270) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is methylcyclohexane;oxan-2-ylmethanol.

Molecular Properties

Compound Namemethylcyclohexane;oxan-2-ylmethanol
PubChem CID143263270
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Namemethylcyclohexane;oxan-2-ylmethanol
SMILESCC1CCCCC1.OCC1CCCCO1
InChIInChI=1S/C7H14.C6H12O2/c1-7-5-3-2-4-6-7;7-5-6-3-1-2-4-8-6/h7H,2-6H2,1H3;6-7H,1-5H2
InChIKeyUYTAKQWNUTXVGN-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-oxan-2-yl]methanol
CID 6950811
ethanol;oxan-2-ylmethanol
CID 66900182
ethane;[(2S)-oxan-2-yl]methanol;hydrate
CID 168916263
ethane;methanol;2-methyloxane;oxan-2-ylmethanol
CID 159746076
methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761
oxane;oxolan-2-ylmethanol
CID 70368060
oxolan-2-ylmethanol;hydrochloride
CID 155166529
hydron;oxolan-2-ylmethanol
CID 174439667
calcium;hydride;oxolan-2-ylmethanol
CID 173198677
[(2R,7R,11R,15S,19S,22S,26S,30R,34R,38R,43R,47R,51S,55S,58R,62S,66R,70R)-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol
CID 162968158
carbonochloridic acid;oxolan-2-ylmethanol
CID 161118728
2-ethoxyoxolane;oxolan-2-ylmethanol
CID 160542333

Frequently Asked Questions

What is the IUPAC name of methylcyclohexane;oxan-2-ylmethanol?
The IUPAC name of methylcyclohexane;oxan-2-ylmethanol (CID 143263270) is methylcyclohexane;oxan-2-ylmethanol.
What is the SMILES notation for methylcyclohexane;oxan-2-ylmethanol?
The canonical SMILES for methylcyclohexane;oxan-2-ylmethanol is CC1CCCCC1.OCC1CCCCO1.
What is the InChIKey of methylcyclohexane;oxan-2-ylmethanol?
The InChIKey is UYTAKQWNUTXVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C6H12O2/c1-7-5-3-2-4-6-7;7-5-6-3-1-2-4-8-6/h7H,2-6H2,1H3;6-7H,1-5H2.
What are the key properties of methylcyclohexane;oxan-2-ylmethanol?
methylcyclohexane;oxan-2-ylmethanol has a molecular weight of 214.35 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclohexane;oxan-2-ylmethanol is sourced from PubChem (CID 143263270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).