3-nonoxypentan-1-ol

C14H30O2 — CID 141114457

IUPAC3-nonoxypentan-1-ol
SMILESCCCCCCCCCOC(CC)CCO
InChIInChI=1S/C14H30O2/c1-3-5-6-7-8-9-10-13-16-14(4-2)11-12-15/h14-15H,3-13H2,1-2H3
InChIKeyYRYCTYGGZRXPNG-UHFFFAOYSA-N
MW230.39 g/mol
LogP3.91
Rot. Bonds12

About 3-nonoxypentan-1-ol

3-nonoxypentan-1-ol (PubChem CID 141114457) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 3-nonoxypentan-1-ol.

Molecular Properties

Compound Name3-nonoxypentan-1-ol
PubChem CID141114457
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name3-nonoxypentan-1-ol
SMILESCCCCCCCCCOC(CC)CCO
InChIInChI=1S/C14H30O2/c1-3-5-6-7-8-9-10-13-16-14(4-2)11-12-15/h14-15H,3-13H2,1-2H3
InChIKeyYRYCTYGGZRXPNG-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 53.91
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-pentan-3-yloxydecane
CID 173279604
3,7-didodecoxydodecane
CID 123502949
11-tetradecoxytridecane-1,2-diol
CID 87328818
1-(4-octoxyhexoxy)nonane
CID 173430678
2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol
CID 176652980
2-hexadecoxypropane-1,3-diol
CID 12924931
5-docosan-5-yloxypentan-1-ol
CID 139884775
2-tetradecoxydecan-1-ol
CID 155667265
2-dodecoxytridecan-1-ol
CID 23171962
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
12-butoxyoctadecan-1-ol
CID 139752074

Frequently Asked Questions

What is the IUPAC name of 3-nonoxypentan-1-ol?
The IUPAC name of 3-nonoxypentan-1-ol (CID 141114457) is 3-nonoxypentan-1-ol.
What is the SMILES notation for 3-nonoxypentan-1-ol?
The canonical SMILES for 3-nonoxypentan-1-ol is CCCCCCCCCOC(CC)CCO.
What is the InChIKey of 3-nonoxypentan-1-ol?
The InChIKey is YRYCTYGGZRXPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-3-5-6-7-8-9-10-13-16-14(4-2)11-12-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 3-nonoxypentan-1-ol?
3-nonoxypentan-1-ol has a molecular weight of 230.39 g/mol, XLogP of 3.91, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonoxypentan-1-ol is sourced from PubChem (CID 141114457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).