(2R)-3-methylhexan-2-ol

C7H16O — CID 88692749

IUPAC(2R)-3-methylhexan-2-ol
SMILESCCCC(C)[C@@H](C)O
InChIInChI=1S/C7H16O/c1-4-5-6(2)7(3)8/h6-8H,4-5H2,1-3H3/t6?,7-/m1/s1
InChIKeyIRLSKJITMWPWNY-COBSHVIPSA-N
MW116.20 g/mol
LogP1.80
Rot. Bonds3

About (2R)-3-methylhexan-2-ol

(2R)-3-methylhexan-2-ol (PubChem CID 88692749) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is (2R)-3-methylhexan-2-ol.

Molecular Properties

Compound Name(2R)-3-methylhexan-2-ol
PubChem CID88692749
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name(2R)-3-methylhexan-2-ol
SMILESCCCC(C)[C@@H](C)O
InChIInChI=1S/C7H16O/c1-4-5-6(2)7(3)8/h6-8H,4-5H2,1-3H3/t6?,7-/m1/s1
InChIKeyIRLSKJITMWPWNY-COBSHVIPSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methylhexan-2-ol?
The IUPAC name of (2R)-3-methylhexan-2-ol (CID 88692749) is (2R)-3-methylhexan-2-ol.
What is the SMILES notation for (2R)-3-methylhexan-2-ol?
The canonical SMILES for (2R)-3-methylhexan-2-ol is CCCC(C)[C@@H](C)O.
What is the InChIKey of (2R)-3-methylhexan-2-ol?
The InChIKey is IRLSKJITMWPWNY-COBSHVIPSA-N. The full InChI is InChI=1S/C7H16O/c1-4-5-6(2)7(3)8/h6-8H,4-5H2,1-3H3/t6?,7-/m1/s1.
What are the key properties of (2R)-3-methylhexan-2-ol?
(2R)-3-methylhexan-2-ol has a molecular weight of 116.20 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methylhexan-2-ol is sourced from PubChem (CID 88692749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).