1-pentan-3-yloxydecane

C15H32O — CID 173279604

IUPAC1-pentan-3-yloxydecane
SMILESCCCCCCCCCCOC(CC)CC
InChIInChI=1S/C15H32O/c1-4-7-8-9-10-11-12-13-14-16-15(5-2)6-3/h15H,4-14H2,1-3H3
InChIKeyMNWOHBRVOIDISY-UHFFFAOYSA-N
MW228.42 g/mol
LogP5.33
Rot. Bonds12

About 1-pentan-3-yloxydecane

1-pentan-3-yloxydecane (PubChem CID 173279604) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-pentan-3-yloxydecane.

Molecular Properties

Compound Name1-pentan-3-yloxydecane
PubChem CID173279604
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name1-pentan-3-yloxydecane
SMILESCCCCCCCCCCOC(CC)CC
InChIInChI=1S/C15H32O/c1-4-7-8-9-10-11-12-13-14-16-15(5-2)6-3/h15H,4-14H2,1-3H3
InChIKeyMNWOHBRVOIDISY-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.42
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 141114457
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CID 123502949
1-(4-octoxyhexoxy)nonane
CID 173430678
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
N-ethyl-2-octoxybutan-1-amine
CID 62456263
1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054
2-hexadecoxypropane-1,3-diol
CID 12924931
1-[2,3-di(octacosoxy)propoxy]octacosane
CID 139785017
1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane
CID 165154265
1-(difluoromethoxy)decane
CID 14400535
11-tetradecoxytridecane-1,2-diol
CID 87328818

Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-yloxydecane?
The IUPAC name of 1-pentan-3-yloxydecane (CID 173279604) is 1-pentan-3-yloxydecane.
What is the SMILES notation for 1-pentan-3-yloxydecane?
The canonical SMILES for 1-pentan-3-yloxydecane is CCCCCCCCCCOC(CC)CC.
What is the InChIKey of 1-pentan-3-yloxydecane?
The InChIKey is MNWOHBRVOIDISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-4-7-8-9-10-11-12-13-14-16-15(5-2)6-3/h15H,4-14H2,1-3H3.
What are the key properties of 1-pentan-3-yloxydecane?
1-pentan-3-yloxydecane has a molecular weight of 228.42 g/mol, XLogP of 5.33, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yloxydecane is sourced from PubChem (CID 173279604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).