4-[(Z)-pent-3-en-2-yl]oxybutan-1-ol

C9H18O2 — CID 143115873

IUPAC4-[(Z)-pent-3-en-2-yl]oxybutan-1-ol
SMILESC/C=C\C(C)OCCCCO
InChIInChI=1S/C9H18O2/c1-3-6-9(2)11-8-5-4-7-10/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3-
InChIKeyCJSLVSRMLQWFLF-UTCJRWHESA-N
MW158.24 g/mol
LogP1.74
Rot. Bonds6

About 4-[(Z)-pent-3-en-2-yl]oxybutan-1-ol

4-[(Z)-pent-3-en-2-yl]oxybutan-1-ol (PubChem CID 143115873) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-[(Z)-pent-3-en-2-yl]oxybutan-1-ol.

Molecular Properties

Compound Name4-[(Z)-pent-3-en-2-yl]oxybutan-1-ol
PubChem CID143115873
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name4-[(Z)-pent-3-en-2-yl]oxybutan-1-ol
SMILESC/C=C\C(C)OCCCCO
InChIInChI=1S/C9H18O2/c1-3-6-9(2)11-8-5-4-7-10/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3-
InChIKeyCJSLVSRMLQWFLF-UTCJRWHESA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(Z)-pent-3-en-2-yl]oxybutan-1-ol 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

1-Butoxy-4-methoxypent-2-ene
CID 18988564
1-[(E)-pent-3-en-2-yl]oxypropan-2-ol
CID 145795321
2-[(E)-pent-3-en-2-yl]oxypropan-1-ol
CID 145795322
(1S,4R)-4-ethoxycyclohex-2-en-1-ol
CID 11961876
(E,2S)-2-pentan-3-yloxyhept-3-ene-1,7-diol
CID 42612527
3-Ethoxynon-4-en-7-ol
CID 129784340
2-Methoxy-3-hepten-6-ol
CID 129784382
2-Butoxy-3-hepten-6-ol
CID 129784691
(Z)-5-methoxyoct-3-en-1-ol
CID 134886819
(Z)-4-methoxyhept-2-en-1-ol
CID 134897657
(Z)-4-butoxypent-2-ene
CID 134981390
(Z)-4-[(2-methylpropan-2-yl)oxy]hept-2-en-1-ol
CID 139252342

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-pent-3-en-2-yl]oxybutan-1-ol?
The IUPAC name of 4-[(Z)-pent-3-en-2-yl]oxybutan-1-ol (CID 143115873) is 4-[(Z)-pent-3-en-2-yl]oxybutan-1-ol.
What is the SMILES notation for 4-[(Z)-pent-3-en-2-yl]oxybutan-1-ol?
The canonical SMILES for 4-[(Z)-pent-3-en-2-yl]oxybutan-1-ol is C/C=C\C(C)OCCCCO.
What is the InChIKey of 4-[(Z)-pent-3-en-2-yl]oxybutan-1-ol?
The InChIKey is CJSLVSRMLQWFLF-UTCJRWHESA-N. The full InChI is InChI=1S/C9H18O2/c1-3-6-9(2)11-8-5-4-7-10/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3-.
What are the key properties of 4-[(Z)-pent-3-en-2-yl]oxybutan-1-ol?
4-[(Z)-pent-3-en-2-yl]oxybutan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-pent-3-en-2-yl]oxybutan-1-ol is sourced from PubChem (CID 143115873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).