3-propylnonane-1,2-diol

C12H26O2 — CID 142914720

IUPAC3-propylnonane-1,2-diol
SMILESCCCCCCC(CCC)C(O)CO
InChIInChI=1S/C12H26O2/c1-3-5-6-7-9-11(8-4-2)12(14)10-13/h11-14H,3-10H2,1-2H3
InChIKeyUQHOSISPAXWLMZ-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.73
Rot. Bonds9

About 3-propylnonane-1,2-diol

3-propylnonane-1,2-diol (PubChem CID 142914720) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-propylnonane-1,2-diol.

Molecular Properties

Compound Name3-propylnonane-1,2-diol
PubChem CID142914720
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name3-propylnonane-1,2-diol
SMILESCCCCCCC(CCC)C(O)CO
InChIInChI=1S/C12H26O2/c1-3-5-6-7-9-11(8-4-2)12(14)10-13/h11-14H,3-10H2,1-2H3
InChIKeyUQHOSISPAXWLMZ-UHFFFAOYSA-N
XLogP2.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.73
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

(2S,3R)-3-propylnonane-1,2-diol
CID 132503720
4-pentyldodecane-1,2,3-triol
CID 175047891
(2S,3S)-decane-1,2,3-triol
CID 12619492
(2R,3R)-undecane-1,2,3-triol
CID 15641124
11-octadecylicosane-1,10,20-triol
CID 174674177
4,5-dipropyltetradecane
CID 21490606
8-hexyl-7-propyltriacontane
CID 21490607
7,8-dipropyltetradecane
CID 530307
3-octyl-4-propylhexane-1,6-diol
CID 154092864
5-butylundecan-6-ol
CID 89253058
(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol
CID 135030850
6,7-dipropyldodecane
CID 529940

Frequently Asked Questions

What is the IUPAC name of 3-propylnonane-1,2-diol?
The IUPAC name of 3-propylnonane-1,2-diol (CID 142914720) is 3-propylnonane-1,2-diol.
What is the SMILES notation for 3-propylnonane-1,2-diol?
The canonical SMILES for 3-propylnonane-1,2-diol is CCCCCCC(CCC)C(O)CO.
What is the InChIKey of 3-propylnonane-1,2-diol?
The InChIKey is UQHOSISPAXWLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-3-5-6-7-9-11(8-4-2)12(14)10-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 3-propylnonane-1,2-diol?
3-propylnonane-1,2-diol has a molecular weight of 202.34 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylnonane-1,2-diol is sourced from PubChem (CID 142914720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).