ethane;3-methyl-4-propylundeca-1,2-diene

C17H34 — CID 143173794

IUPACethane;3-methyl-4-propylundeca-1,2-diene
SMILESC=C=C(C)C(CCC)CCCCCCC.CC
InChIInChI=1S/C15H28.C2H6/c1-5-8-9-10-11-13-15(12-6-2)14(4)7-3;1-2/h15H,3,5-6,8-13H2,1-2,4H3;1-2H3
InChIKeyRTXSGCUUFKCXFP-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.52
Rot. Bonds9

About ethane;3-methyl-4-propylundeca-1,2-diene

ethane;3-methyl-4-propylundeca-1,2-diene (PubChem CID 143173794) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is ethane;3-methyl-4-propylundeca-1,2-diene.

Molecular Properties

Compound Nameethane;3-methyl-4-propylundeca-1,2-diene
PubChem CID143173794
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Nameethane;3-methyl-4-propylundeca-1,2-diene
SMILESC=C=C(C)C(CCC)CCCCCCC.CC
InChIInChI=1S/C15H28.C2H6/c1-5-8-9-10-11-13-15(12-6-2)14(4)7-3;1-2/h15H,3,5-6,8-13H2,1-2,4H3;1-2H3
InChIKeyRTXSGCUUFKCXFP-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-propylhexadecanoic acid
CID 10040360
3-ethyl-2-methyldodec-1-ene
CID 174845873
2-propylheptadecanoic acid
CID 22251985
2-methylidene-3-propylnonadecanoic acid
CID 174308550
3-pentylnonan-2-one
CID 21290467
2,3-dimethyldodec-1-ene;ethane;ethene
CID 144958915
3-methylocta-1,2-dien-4-amine
CID 55285036
8-but-2-en-2-ylpentadecane
CID 174945434
3-butylundecan-2-one
CID 10922232
tert-butyl 2-propyldecanoate
CID 141018568
magnesium bis(2-propyldodecanoate)
CID 21393972
2-propylnonanoyl 2-propylnonanoate
CID 54359138

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4-propylundeca-1,2-diene?
The IUPAC name of ethane;3-methyl-4-propylundeca-1,2-diene (CID 143173794) is ethane;3-methyl-4-propylundeca-1,2-diene.
What is the SMILES notation for ethane;3-methyl-4-propylundeca-1,2-diene?
The canonical SMILES for ethane;3-methyl-4-propylundeca-1,2-diene is C=C=C(C)C(CCC)CCCCCCC.CC.
What is the InChIKey of ethane;3-methyl-4-propylundeca-1,2-diene?
The InChIKey is RTXSGCUUFKCXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28.C2H6/c1-5-8-9-10-11-13-15(12-6-2)14(4)7-3;1-2/h15H,3,5-6,8-13H2,1-2,4H3;1-2H3.
What are the key properties of ethane;3-methyl-4-propylundeca-1,2-diene?
ethane;3-methyl-4-propylundeca-1,2-diene has a molecular weight of 238.46 g/mol, XLogP of 6.52, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4-propylundeca-1,2-diene is sourced from PubChem (CID 143173794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).