(5R)-heptane-1,5-diol

C7H16O2 — CID 170849468

IUPAC(5R)-heptane-1,5-diol
SMILESCC[C@@H](O)CCCCO
InChIInChI=1S/C7H16O2/c1-2-7(9)5-3-4-6-8/h7-9H,2-6H2,1H3/t7-/m1/s1
InChIKeyNNYOSLMHXUVJJH-SSDOTTSWSA-N
MW132.20 g/mol
LogP0.92
Rot. Bonds5

About (5R)-heptane-1,5-diol

(5R)-heptane-1,5-diol (PubChem CID 170849468) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is (5R)-heptane-1,5-diol.

Molecular Properties

Compound Name(5R)-heptane-1,5-diol
PubChem CID170849468
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name(5R)-heptane-1,5-diol
SMILESCC[C@@H](O)CCCCO
InChIInChI=1S/C7H16O2/c1-2-7(9)5-3-4-6-8/h7-9H,2-6H2,1H3/t7-/m1/s1
InChIKeyNNYOSLMHXUVJJH-SSDOTTSWSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

decane-1,8-diol
CID 160857478
undecane-1,9-diol
CID 56629636
icosane-1,18-diol
CID 87114916
octane-1,6-diol
CID 159745348
nonane-3,7-diol
CID 22141483
decane-1,2,8-triol
CID 88722169
heptacosane-1,10,27-triol
CID 56980866
hexacosane-1,8,19,26-tetrol
CID 167004997
hexadecane-1,8,16-triol
CID 11403100
(9R)-octadecane-1,9-diol
CID 10968142
heptadecane-1,7-diol
CID 130297854
tridecane-1,5-diol
CID 15587437

Frequently Asked Questions

What is the IUPAC name of (5R)-heptane-1,5-diol?
The IUPAC name of (5R)-heptane-1,5-diol (CID 170849468) is (5R)-heptane-1,5-diol.
What is the SMILES notation for (5R)-heptane-1,5-diol?
The canonical SMILES for (5R)-heptane-1,5-diol is CC[C@@H](O)CCCCO.
What is the InChIKey of (5R)-heptane-1,5-diol?
The InChIKey is NNYOSLMHXUVJJH-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16O2/c1-2-7(9)5-3-4-6-8/h7-9H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (5R)-heptane-1,5-diol?
(5R)-heptane-1,5-diol has a molecular weight of 132.20 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-heptane-1,5-diol is sourced from PubChem (CID 170849468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).