9-methyl-6-pent-4-en-2-ylundeca-3,7-diene

C17H30 — CID 57160448

IUPAC9-methyl-6-pent-4-en-2-ylundeca-3,7-diene
SMILESC=CCC(C)C(C=CC(C)CC)CC=CCC
InChIInChI=1S/C17H30/c1-6-9-10-12-17(16(5)11-7-2)14-13-15(4)8-3/h7,9-10,13-17H,2,6,8,11-12H2,1,3-5H3
InChIKeyUYVVXKLYCKVSEX-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.77
Rot. Bonds9

About 9-methyl-6-pent-4-en-2-ylundeca-3,7-diene

9-methyl-6-pent-4-en-2-ylundeca-3,7-diene (PubChem CID 57160448) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 9-methyl-6-pent-4-en-2-ylundeca-3,7-diene.

Molecular Properties

Compound Name9-methyl-6-pent-4-en-2-ylundeca-3,7-diene
PubChem CID57160448
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name9-methyl-6-pent-4-en-2-ylundeca-3,7-diene
SMILESC=CCC(C)C(C=CC(C)CC)CC=CCC
InChIInChI=1S/C17H30/c1-6-9-10-12-17(16(5)11-7-2)14-13-15(4)8-3/h7,9-10,13-17H,2,6,8,11-12H2,1,3-5H3
InChIKeyUYVVXKLYCKVSEX-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.77
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

4-ethyl-7-methylnona-1,5-diene
CID 123181426
(Z)-5-methylhept-3-ene
CID 5364727
3,6-dimethyloct-4-ene
CID 73165576
3,7,8-trimethylnon-4-ene
CID 91465939
(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
CID 59039366
4,5,6-trimethyloct-1-ene
CID 91354249
but-1-ene;tris((2S)-2-methylhept-4-enoic acid);(2S)-2-methylpent-4-enoic acid
CID 158960658
but-1-ene;4-methylpent-1-ene
CID 23001909
2,3-diethyloxirane;(E)-hex-3-ene;3-methylpent-1-ene
CID 158094227
ethene;4-ethylhex-1-ene
CID 159399050
N-methylhept-4-en-2-amine
CID 123748755
butane;2,7-dimethyloct-4-ene;4-methylpent-1-ene
CID 158518430

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-pent-4-en-2-ylundeca-3,7-diene?
The IUPAC name of 9-methyl-6-pent-4-en-2-ylundeca-3,7-diene (CID 57160448) is 9-methyl-6-pent-4-en-2-ylundeca-3,7-diene.
What is the SMILES notation for 9-methyl-6-pent-4-en-2-ylundeca-3,7-diene?
The canonical SMILES for 9-methyl-6-pent-4-en-2-ylundeca-3,7-diene is C=CCC(C)C(C=CC(C)CC)CC=CCC.
What is the InChIKey of 9-methyl-6-pent-4-en-2-ylundeca-3,7-diene?
The InChIKey is UYVVXKLYCKVSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-6-9-10-12-17(16(5)11-7-2)14-13-15(4)8-3/h7,9-10,13-17H,2,6,8,11-12H2,1,3-5H3.
What are the key properties of 9-methyl-6-pent-4-en-2-ylundeca-3,7-diene?
9-methyl-6-pent-4-en-2-ylundeca-3,7-diene has a molecular weight of 234.43 g/mol, XLogP of 5.77, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-pent-4-en-2-ylundeca-3,7-diene is sourced from PubChem (CID 57160448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).