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

C7H16O — CID 6999791

IUPAC(3R)-3-methylhexan-3-ol
SMILESCCC[C@](C)(O)CC
InChIInChI=1S/C7H16O/c1-4-6-7(3,8)5-2/h8H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyKYWJZCSJMOILIZ-SSDOTTSWSA-N
MW116.20 g/mol
LogP1.95
Rot. Bonds3

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

(3R)-3-methylhexan-3-ol (PubChem CID 6999791) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is (3R)-3-methylhexan-3-ol.

Molecular Properties

Compound Name(3R)-3-methylhexan-3-ol
PubChem CID6999791
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name(3R)-3-methylhexan-3-ol
SMILESCCC[C@](C)(O)CC
InChIInChI=1S/C7H16O/c1-4-6-7(3,8)5-2/h8H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyKYWJZCSJMOILIZ-SSDOTTSWSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methylhexan-3-ol?
The IUPAC name of (3R)-3-methylhexan-3-ol (CID 6999791) is (3R)-3-methylhexan-3-ol.
What is the SMILES notation for (3R)-3-methylhexan-3-ol?
The canonical SMILES for (3R)-3-methylhexan-3-ol is CCC[C@](C)(O)CC.
What is the InChIKey of (3R)-3-methylhexan-3-ol?
The InChIKey is KYWJZCSJMOILIZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16O/c1-4-6-7(3,8)5-2/h8H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of (3R)-3-methylhexan-3-ol?
(3R)-3-methylhexan-3-ol has a molecular weight of 116.20 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methylhexan-3-ol is sourced from PubChem (CID 6999791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).