1-pentoxypentyl formate

C11H22O3 — CID 21266274

IUPAC1-pentoxypentyl formate
SMILESCCCCCOC(CCCC)OC=O
InChIInChI=1S/C11H22O3/c1-3-5-7-9-13-11(14-10-12)8-6-4-2/h10-11H,3-9H2,1-2H3
InChIKeyDXBWQQHSMFRKFD-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.88
Rot. Bonds10

About 1-pentoxypentyl formate

1-pentoxypentyl formate (PubChem CID 21266274) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 1-pentoxypentyl formate.

Molecular Properties

Compound Name1-pentoxypentyl formate
PubChem CID21266274
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name1-pentoxypentyl formate
SMILESCCCCCOC(CCCC)OC=O
InChIInChI=1S/C11H22O3/c1-3-5-7-9-13-11(14-10-12)8-6-4-2/h10-11H,3-9H2,1-2H3
InChIKeyDXBWQQHSMFRKFD-UHFFFAOYSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6,6-dioctoxyhexanal
CID 155246077
1-pentoxyprop-2-enyl formate
CID 87679906
1,1-dibutoxyoctane
CID 54557001
15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane
CID 175226226
N-(3,3-didecoxypropyl)formamide
CID 57283019
4,4-di(tetradecoxy)butan-1-amine
CID 87630255
6-methyl-1,1-dioctoxyheptane
CID 171428766
4,4-dioctadecoxybutan-1-amine
CID 87498240
octadecan-8-yl formate
CID 171797323
1-aminopentyl formate
CID 57047704
hexatriacontan-18-yl formate
CID 144696165
(5Z,7E)-1,1-diheptoxydodeca-5,7-diene
CID 170561608

Frequently Asked Questions

What is the IUPAC name of 1-pentoxypentyl formate?
The IUPAC name of 1-pentoxypentyl formate (CID 21266274) is 1-pentoxypentyl formate.
What is the SMILES notation for 1-pentoxypentyl formate?
The canonical SMILES for 1-pentoxypentyl formate is CCCCCOC(CCCC)OC=O.
What is the InChIKey of 1-pentoxypentyl formate?
The InChIKey is DXBWQQHSMFRKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-5-7-9-13-11(14-10-12)8-6-4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-pentoxypentyl formate?
1-pentoxypentyl formate has a molecular weight of 202.29 g/mol, XLogP of 2.88, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentoxypentyl formate is sourced from PubChem (CID 21266274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).