3-nonoxypropan-1-ol

C12H26O2 — CID 19076992

IUPAC3-nonoxypropan-1-ol
SMILESCCCCCCCCCOCCCO
InChIInChI=1S/C12H26O2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13/h13H,2-12H2,1H3
InChIKeyHKWZHBLXVHHMFO-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.14
Rot. Bonds11

About 3-nonoxypropan-1-ol

3-nonoxypropan-1-ol (PubChem CID 19076992) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-nonoxypropan-1-ol.

Molecular Properties

Compound Name3-nonoxypropan-1-ol
PubChem CID19076992
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name3-nonoxypropan-1-ol
SMILESCCCCCCCCCOCCCO
InChIInChI=1S/C12H26O2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13/h13H,2-12H2,1H3
InChIKeyHKWZHBLXVHHMFO-UHFFFAOYSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Octanol
CID 957
1-Dodecanol
CID 8193
1-Tetradecanol
CID 8209
1-Decanol
CID 8174
1-Tridecanol
CID 8207
1-Undecanol
CID 8184
1-Nonanol
CID 8914
2-(Dodecyloxy)ethanol
CID 24750
1,12-Dodecanediol
CID 79758
1,8-Octanediol
CID 69420
Octane-1,3-diol
CID 90927
1,9-Nonanediol
CID 19835

Frequently Asked Questions

What is the IUPAC name of 3-nonoxypropan-1-ol?
The IUPAC name of 3-nonoxypropan-1-ol (CID 19076992) is 3-nonoxypropan-1-ol.
What is the SMILES notation for 3-nonoxypropan-1-ol?
The canonical SMILES for 3-nonoxypropan-1-ol is CCCCCCCCCOCCCO.
What is the InChIKey of 3-nonoxypropan-1-ol?
The InChIKey is HKWZHBLXVHHMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13/h13H,2-12H2,1H3.
What are the key properties of 3-nonoxypropan-1-ol?
3-nonoxypropan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 3.14, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonoxypropan-1-ol is sourced from PubChem (CID 19076992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).