5-butylnon-2-ene

C13H26 — CID 175055679

IUPAC5-butylnon-2-ene
SMILESCC=CCC(CCCC)CCCC
InChIInChI=1S/C13H26/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4,7,13H,5-6,8-12H2,1-3H3
InChIKeyRXVLBVSHUFWOAW-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.95
Rot. Bonds8

About 5-butylnon-2-ene

5-butylnon-2-ene (PubChem CID 175055679) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 5-butylnon-2-ene.

Molecular Properties

Compound Name5-butylnon-2-ene
PubChem CID175055679
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name5-butylnon-2-ene
SMILESCC=CCC(CCCC)CCCC
InChIInChI=1S/C13H26/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4,7,13H,5-6,8-12H2,1-3H3
InChIKeyRXVLBVSHUFWOAW-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-butylhex-4-en-1-amine
CID 91034003
5-[2-(3-but-2-enyldodecoxy)ethyl]tetradec-2-ene
CID 174486103
5-ethyloct-2-ene
CID 54276882
but-2-enyl(tributyl)phosphanium
CID 76527519
propane;(E)-5-[(Z)-prop-1-enyl]non-2-ene
CID 143978428
(E,5S,6R)-6-methyldec-8-en-5-ol
CID 88893107
8-ethyldodec-5-ene
CID 173018114
(Z)-tridec-2-en-5-ol
CID 11564658
(E,5S)-tridec-2-en-5-ol
CID 87621618
(2Z,4Z)-7-propyldeca-2,4-diene
CID 155725646
3-propylheptanal
CID 12639871
(E)-12-propylhexacos-9-ene
CID 173194429

Frequently Asked Questions

What is the IUPAC name of 5-butylnon-2-ene?
The IUPAC name of 5-butylnon-2-ene (CID 175055679) is 5-butylnon-2-ene.
What is the SMILES notation for 5-butylnon-2-ene?
The canonical SMILES for 5-butylnon-2-ene is CC=CCC(CCCC)CCCC.
What is the InChIKey of 5-butylnon-2-ene?
The InChIKey is RXVLBVSHUFWOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4,7,13H,5-6,8-12H2,1-3H3.
What are the key properties of 5-butylnon-2-ene?
5-butylnon-2-ene has a molecular weight of 182.35 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnon-2-ene is sourced from PubChem (CID 175055679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).