(2R)-heptan-2-ol

C7H16O — CID 6992611

IUPAC(2R)-heptan-2-ol
SMILESCCCCC[C@@H](C)O
InChIInChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyCETWDUZRCINIHU-SSDOTTSWSA-N
MW116.20 g/mol
LogP1.95
Rot. Bonds4

About (2R)-heptan-2-ol

(2R)-heptan-2-ol (PubChem CID 6992611) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is (2R)-heptan-2-ol.

Molecular Properties

Compound Name(2R)-heptan-2-ol
PubChem CID6992611
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name(2R)-heptan-2-ol
SMILESCCCCC[C@@H](C)O
InChIInChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyCETWDUZRCINIHU-SSDOTTSWSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

(2S)-octadecan-2-ol
CID 25022019
heptan-2-ol;hydroxylamine
CID 88625997
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
(2S)-heptan-2-ol;hydrochloride
CID 141119609
heptane;heptan-2-ol
CID 157400640
henicosan-2-ol
CID 14151023
octan-2-ol;vanadium
CID 175998662
azane;tetradecan-2-ol
CID 172733454
sodium;hydride;nonan-2-ol
CID 174316439
sodium;dodecan-2-ol;hydride
CID 174187549
methanamine;octadecan-2-ol;hydrochloride
CID 173318083

Frequently Asked Questions

What is the IUPAC name of (2R)-heptan-2-ol?
The IUPAC name of (2R)-heptan-2-ol (CID 6992611) is (2R)-heptan-2-ol.
What is the SMILES notation for (2R)-heptan-2-ol?
The canonical SMILES for (2R)-heptan-2-ol is CCCCC[C@@H](C)O.
What is the InChIKey of (2R)-heptan-2-ol?
The InChIKey is CETWDUZRCINIHU-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-heptan-2-ol?
(2R)-heptan-2-ol has a molecular weight of 116.20 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-heptan-2-ol is sourced from PubChem (CID 6992611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).