(3R)-4-methylpentane-1,3-diol

C6H14O2 — CID 12896297

IUPAC(3R)-4-methylpentane-1,3-diol
SMILESCC(C)[C@H](O)CCO
InChIInChI=1S/C6H14O2/c1-5(2)6(8)3-4-7/h5-8H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyDCBLTYZAUIEBCX-ZCFIWIBFSA-N
MW118.18 g/mol
LogP0.39
Rot. Bonds3

About (3R)-4-methylpentane-1,3-diol

(3R)-4-methylpentane-1,3-diol (PubChem CID 12896297) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is (3R)-4-methylpentane-1,3-diol.

Molecular Properties

Compound Name(3R)-4-methylpentane-1,3-diol
PubChem CID12896297
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name(3R)-4-methylpentane-1,3-diol
SMILESCC(C)[C@H](O)CCO
InChIInChI=1S/C6H14O2/c1-5(2)6(8)3-4-7/h5-8H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyDCBLTYZAUIEBCX-ZCFIWIBFSA-N
XLogP0.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-methylpentane-1,3-diol?
The IUPAC name of (3R)-4-methylpentane-1,3-diol (CID 12896297) is (3R)-4-methylpentane-1,3-diol.
What is the SMILES notation for (3R)-4-methylpentane-1,3-diol?
The canonical SMILES for (3R)-4-methylpentane-1,3-diol is CC(C)[C@H](O)CCO.
What is the InChIKey of (3R)-4-methylpentane-1,3-diol?
The InChIKey is DCBLTYZAUIEBCX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H14O2/c1-5(2)6(8)3-4-7/h5-8H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of (3R)-4-methylpentane-1,3-diol?
(3R)-4-methylpentane-1,3-diol has a molecular weight of 118.18 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-methylpentane-1,3-diol is sourced from PubChem (CID 12896297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).