(3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene

C15H26 — CID 158835556

IUPAC(3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene
SMILESCC/C=C\C/C=C\C/C=C\CC(C)(C)C
InChIInChI=1S/C15H26/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4/h6-7,9-10,12-13H,5,8,11,14H2,1-4H3/b7-6-,10-9-,13-12-
InChIKeyKEFIQBDTYNYUBQ-QNEBEIHSSA-N
MW206.37 g/mol
LogP5.28
Rot. Bonds6

About (3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene

(3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene (PubChem CID 158835556) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene.

Molecular Properties

Compound Name(3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene
PubChem CID158835556
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene
SMILESCC/C=C\C/C=C\C/C=C\CC(C)(C)C
InChIInChI=1S/C15H26/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4/h6-7,9-10,12-13H,5,8,11,14H2,1-4H3/b7-6-,10-9-,13-12-
InChIKeyKEFIQBDTYNYUBQ-QNEBEIHSSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.28
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

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pentadeca-3,6,9,12-tetraene
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(3Z,6Z,9Z,12Z,15Z,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene
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ethyl 2,2-dimethyldocosa-4,7,10,13,16,19-hexaenoate
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(2Z,4Z,7E)-deca-2,4,7-triene
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CID 173486869
CID 173486869
henicosa-3,6,9,12,15,18-hexaenal
CID 123986237
(3Z,6Z)-nona-3,6-dienal
CID 5352808
(E)-2-bromo-2-methylhept-4-enoic acid
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(Z)-N-tert-butylhex-3-en-1-imine
CID 87184267

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene?
The IUPAC name of (3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene (CID 158835556) is (3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene.
What is the SMILES notation for (3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene?
The canonical SMILES for (3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene is CC/C=C\C/C=C\C/C=C\CC(C)(C)C.
What is the InChIKey of (3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene?
The InChIKey is KEFIQBDTYNYUBQ-QNEBEIHSSA-N. The full InChI is InChI=1S/C15H26/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4/h6-7,9-10,12-13H,5,8,11,14H2,1-4H3/b7-6-,10-9-,13-12-.
What are the key properties of (3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene?
(3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene has a molecular weight of 206.37 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene is sourced from PubChem (CID 158835556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).