8-but-2-en-2-ylpentadecane

C19H38 — CID 174945434

IUPAC8-but-2-en-2-ylpentadecane
SMILESCC=C(C)C(CCCCCCC)CCCCCCC
InChIInChI=1S/C19H38/c1-5-8-10-12-14-16-19(18(4)7-3)17-15-13-11-9-6-2/h7,19H,5-6,8-17H2,1-4H3
InChIKeyCEZFFUGLEIDENY-UHFFFAOYSA-N
MW266.51 g/mol
LogP7.29
Rot. Bonds13

About 8-but-2-en-2-ylpentadecane

8-but-2-en-2-ylpentadecane (PubChem CID 174945434) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is 8-but-2-en-2-ylpentadecane.

Molecular Properties

Compound Name8-but-2-en-2-ylpentadecane
PubChem CID174945434
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name8-but-2-en-2-ylpentadecane
SMILESCC=C(C)C(CCCCCCC)CCCCCCC
InChIInChI=1S/C19H38/c1-5-8-10-12-14-16-19(18(4)7-3)17-15-13-11-9-6-2/h7,19H,5-6,8-17H2,1-4H3
InChIKeyCEZFFUGLEIDENY-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-but-2-en-2-yloctanoic acid
CID 138521263
3-pentylnonan-2-one
CID 21290467
3-butylundecan-2-one
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5-butyl-3,4-dimethyldec-2-ene
CID 123501765
heptatriacontan-19-ylazanium
CID 22345110
henicosan-11-ylazanium
CID 22645794
22,24-di(henicosyl)pentatetracontan-23-one
CID 174350862
11,13-diheptyltricosan-12-one
CID 175328104
9,11-dipentylnonadecan-10-one
CID 174915946
(E)-3-ethyl-1-[(E)-3-ethyl-2-methyloct-1-enoxy]-2-methyloct-1-ene
CID 87707000
3-ethyl-2-methyldodec-1-ene
CID 174845873
2-pentyldodecanoic acid
CID 18521426

Frequently Asked Questions

What is the IUPAC name of 8-but-2-en-2-ylpentadecane?
The IUPAC name of 8-but-2-en-2-ylpentadecane (CID 174945434) is 8-but-2-en-2-ylpentadecane.
What is the SMILES notation for 8-but-2-en-2-ylpentadecane?
The canonical SMILES for 8-but-2-en-2-ylpentadecane is CC=C(C)C(CCCCCCC)CCCCCCC.
What is the InChIKey of 8-but-2-en-2-ylpentadecane?
The InChIKey is CEZFFUGLEIDENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38/c1-5-8-10-12-14-16-19(18(4)7-3)17-15-13-11-9-6-2/h7,19H,5-6,8-17H2,1-4H3.
What are the key properties of 8-but-2-en-2-ylpentadecane?
8-but-2-en-2-ylpentadecane has a molecular weight of 266.51 g/mol, XLogP of 7.29, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-but-2-en-2-ylpentadecane is sourced from PubChem (CID 174945434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).