5-pentan-3-yloxyhex-1-ene

C11H22O — CID 135044726

IUPAC5-pentan-3-yloxyhex-1-ene
SMILESC=CCCC(C)OC(CC)CC
InChIInChI=1S/C11H22O/c1-5-8-9-10(4)12-11(6-2)7-3/h5,10-11H,1,6-9H2,2-4H3
InChIKeyOCWKMWOJSVDFTR-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.55
Rot. Bonds7

About 5-pentan-3-yloxyhex-1-ene

5-pentan-3-yloxyhex-1-ene (PubChem CID 135044726) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 5-pentan-3-yloxyhex-1-ene.

Molecular Properties

Compound Name5-pentan-3-yloxyhex-1-ene
PubChem CID135044726
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name5-pentan-3-yloxyhex-1-ene
SMILESC=CCCC(C)OC(CC)CC
InChIInChI=1S/C11H22O/c1-5-8-9-10(4)12-11(6-2)7-3/h5,10-11H,1,6-9H2,2-4H3
InChIKeyOCWKMWOJSVDFTR-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-pentan-3-yloxyhex-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Butoxy-1-pentene
CID 534792
1-Butene, 3-butoxy-
CID 543705
4-Methoxyhept-1-ene
CID 12550392
4-Methoxy-1-octene
CID 12657009
5-Ethoxyhept-6-ene
CID 13315257
1-Pent-4-enoxyhexane
CID 15643642
6-Ethoxyhex-1-ene
CID 17825069
5-(Pent-4-en-1-yloxy)pent-1-ene
CID 19612338
5-Hexenyl butyl ether
CID 21186914
1-Ethyl-2-propenyl ether
CID 21584883
Vinylbutyl vinylbutyl ether
CID 57203039
1-Methyl-4-pentenyl ether
CID 57295639

Frequently Asked Questions

What is the IUPAC name of 5-pentan-3-yloxyhex-1-ene?
The IUPAC name of 5-pentan-3-yloxyhex-1-ene (CID 135044726) is 5-pentan-3-yloxyhex-1-ene.
What is the SMILES notation for 5-pentan-3-yloxyhex-1-ene?
The canonical SMILES for 5-pentan-3-yloxyhex-1-ene is C=CCCC(C)OC(CC)CC.
What is the InChIKey of 5-pentan-3-yloxyhex-1-ene?
The InChIKey is OCWKMWOJSVDFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-5-8-9-10(4)12-11(6-2)7-3/h5,10-11H,1,6-9H2,2-4H3.
What are the key properties of 5-pentan-3-yloxyhex-1-ene?
5-pentan-3-yloxyhex-1-ene has a molecular weight of 170.30 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-yloxyhex-1-ene is sourced from PubChem (CID 135044726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).