(3R,5R)-heptane-3,5-diol

C7H16O2 — CID 12641368

IUPAC(3R,5R)-heptane-3,5-diol
SMILESCC[C@@H](O)C[C@H](O)CC
InChIInChI=1S/C7H16O2/c1-3-6(8)5-7(9)4-2/h6-9H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyBQWORYKVVNTRAW-RNFRBKRXSA-N
MW132.20 g/mol
LogP0.92
Rot. Bonds4

About (3R,5R)-heptane-3,5-diol

(3R,5R)-heptane-3,5-diol (PubChem CID 12641368) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is (3R,5R)-heptane-3,5-diol.

Molecular Properties

Compound Name(3R,5R)-heptane-3,5-diol
PubChem CID12641368
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name(3R,5R)-heptane-3,5-diol
SMILESCC[C@@H](O)C[C@H](O)CC
InChIInChI=1S/C7H16O2/c1-3-6(8)5-7(9)4-2/h6-9H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyBQWORYKVVNTRAW-RNFRBKRXSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-heptane-3,5-diol?
The IUPAC name of (3R,5R)-heptane-3,5-diol (CID 12641368) is (3R,5R)-heptane-3,5-diol.
What is the SMILES notation for (3R,5R)-heptane-3,5-diol?
The canonical SMILES for (3R,5R)-heptane-3,5-diol is CC[C@@H](O)C[C@H](O)CC.
What is the InChIKey of (3R,5R)-heptane-3,5-diol?
The InChIKey is BQWORYKVVNTRAW-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H16O2/c1-3-6(8)5-7(9)4-2/h6-9H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (3R,5R)-heptane-3,5-diol?
(3R,5R)-heptane-3,5-diol has a molecular weight of 132.20 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-heptane-3,5-diol is sourced from PubChem (CID 12641368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).