heptan-2-ol;heptan-3-ol

C14H32O2 — CID 156500296

IUPACheptan-2-ol;heptan-3-ol
SMILESCCCCC(O)CC.CCCCCC(C)O
InChIInChI=1S/2C7H16O/c1-3-4-5-6-7(2)8;1-3-5-6-7(8)4-2/h2*7-8H,3-6H2,1-2H3
InChIKeyMPHHFQYWBDXNRR-UHFFFAOYSA-N
MW232.41 g/mol
LogP3.89
Rot. Bonds8

About heptan-2-ol;heptan-3-ol

heptan-2-ol;heptan-3-ol (PubChem CID 156500296) has the molecular formula C14H32O2 and a molecular weight of 232.41 g/mol. Its IUPAC name is heptan-2-ol;heptan-3-ol.

Molecular Properties

Compound Nameheptan-2-ol;heptan-3-ol
PubChem CID156500296
Molecular FormulaC14H32O2
Molecular Weight232.41 g/mol
Exact Mass232.24
IUPAC Nameheptan-2-ol;heptan-3-ol
SMILESCCCCC(O)CC.CCCCCC(C)O
InChIInChI=1S/2C7H16O/c1-3-4-5-6-7(2)8;1-3-5-6-7(8)4-2/h2*7-8H,3-6H2,1-2H3
InChIKeyMPHHFQYWBDXNRR-UHFFFAOYSA-N
XLogP3.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze heptan-2-ol;heptan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

octadecane-2,14-diol
CID 170722506
octan-3-ol;propan-2-ol;silane
CID 174446163
icosan-3-ol
CID 14940768
(2R)-heptan-2-ol
CID 6992611
icosane-3,10-diol
CID 141217833
dodecan-3-ol;propane
CID 159624658
(2S)-octadecan-2-ol
CID 25022019
heptan-2-ol;hydroxylamine
CID 88625997
docosan-2-ol
CID 14151025
(2S)-heptan-2-ol;hydrochloride
CID 141119609
octan-2-ol
CID 20083
heptane;heptan-2-ol
CID 157400640

Frequently Asked Questions

What is the IUPAC name of heptan-2-ol;heptan-3-ol?
The IUPAC name of heptan-2-ol;heptan-3-ol (CID 156500296) is heptan-2-ol;heptan-3-ol.
What is the SMILES notation for heptan-2-ol;heptan-3-ol?
The canonical SMILES for heptan-2-ol;heptan-3-ol is CCCCC(O)CC.CCCCCC(C)O.
What is the InChIKey of heptan-2-ol;heptan-3-ol?
The InChIKey is MPHHFQYWBDXNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16O/c1-3-4-5-6-7(2)8;1-3-5-6-7(8)4-2/h2*7-8H,3-6H2,1-2H3.
What are the key properties of heptan-2-ol;heptan-3-ol?
heptan-2-ol;heptan-3-ol has a molecular weight of 232.41 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-2-ol;heptan-3-ol is sourced from PubChem (CID 156500296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).