2,6,9-trimethyl-5-methylidene-4-prop-1-en-2-yldeca-1,3,9-triene

C17H26 — CID 123767208

IUPAC2,6,9-trimethyl-5-methylidene-4-prop-1-en-2-yldeca-1,3,9-triene
SMILESC=C(C)C=C(C(=C)C)C(=C)C(C)CCC(=C)C
InChIInChI=1S/C17H26/c1-12(2)9-10-15(7)16(8)17(14(5)6)11-13(3)4/h11,15H,1,3,5,8-10H2,2,4,6-7H3
InChIKeyREZSKNSLMRCHFA-UHFFFAOYSA-N
MW230.39 g/mol
LogP5.61
Rot. Bonds7

About 2,6,9-trimethyl-5-methylidene-4-prop-1-en-2-yldeca-1,3,9-triene

2,6,9-trimethyl-5-methylidene-4-prop-1-en-2-yldeca-1,3,9-triene (PubChem CID 123767208) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 2,6,9-trimethyl-5-methylidene-4-prop-1-en-2-yldeca-1,3,9-triene.

Molecular Properties

Compound Name2,6,9-trimethyl-5-methylidene-4-prop-1-en-2-yldeca-1,3,9-triene
PubChem CID123767208
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name2,6,9-trimethyl-5-methylidene-4-prop-1-en-2-yldeca-1,3,9-triene
SMILESC=C(C)C=C(C(=C)C)C(=C)C(C)CCC(=C)C
InChIInChI=1S/C17H26/c1-12(2)9-10-15(7)16(8)17(14(5)6)11-13(3)4/h11,15H,1,3,5,8-10H2,2,4,6-7H3
InChIKeyREZSKNSLMRCHFA-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,5-dimethylhex-5-enoic acid
CID 94864508
6-methoxy-2,5-dimethylocta-1,6-diene
CID 123277577
2,3,7-trimethyloct-7-en-4-ol
CID 115834419
2,5-dimethylhex-5-ene-1,1-diol
CID 88503199
5-ethyl-2-methyldeca-1,7-diene
CID 123598746
2-methylpropyl 2,5-dimethylhex-5-enoate
CID 162502138
5-methyl-N-prop-1-en-2-ylhex-5-en-2-amine
CID 143351976
(7E)-8-fluoro-3,9-dimethyl-6-methylidenedeca-7,9-dien-2-one;molecular hydrogen
CID 163264610
3,7-dimethyl-2-methylideneoct-7-enal
CID 138692608
3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol
CID 142358246
2,3,8-trimethylnona-1,8-diene
CID 155711646
2,7-dimethyloct-7-en-3-ol
CID 79185633

Frequently Asked Questions

What is the IUPAC name of 2,6,9-trimethyl-5-methylidene-4-prop-1-en-2-yldeca-1,3,9-triene?
The IUPAC name of 2,6,9-trimethyl-5-methylidene-4-prop-1-en-2-yldeca-1,3,9-triene (CID 123767208) is 2,6,9-trimethyl-5-methylidene-4-prop-1-en-2-yldeca-1,3,9-triene.
What is the SMILES notation for 2,6,9-trimethyl-5-methylidene-4-prop-1-en-2-yldeca-1,3,9-triene?
The canonical SMILES for 2,6,9-trimethyl-5-methylidene-4-prop-1-en-2-yldeca-1,3,9-triene is C=C(C)C=C(C(=C)C)C(=C)C(C)CCC(=C)C.
What is the InChIKey of 2,6,9-trimethyl-5-methylidene-4-prop-1-en-2-yldeca-1,3,9-triene?
The InChIKey is REZSKNSLMRCHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-12(2)9-10-15(7)16(8)17(14(5)6)11-13(3)4/h11,15H,1,3,5,8-10H2,2,4,6-7H3.
What are the key properties of 2,6,9-trimethyl-5-methylidene-4-prop-1-en-2-yldeca-1,3,9-triene?
2,6,9-trimethyl-5-methylidene-4-prop-1-en-2-yldeca-1,3,9-triene has a molecular weight of 230.39 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,9-trimethyl-5-methylidene-4-prop-1-en-2-yldeca-1,3,9-triene is sourced from PubChem (CID 123767208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).