(5E,9E)-6,10-dimethyldodeca-5,9-dien-1-yne

C14H22 — CID 159745410

IUPAC(5E,9E)-6,10-dimethyldodeca-5,9-dien-1-yne
SMILESC#CCC/C=C(\C)CC/C=C(\C)CC
InChIInChI=1S/C14H22/c1-5-7-8-10-14(4)12-9-11-13(3)6-2/h1,10-11H,6-9,12H2,2-4H3/b13-11+,14-10+
InChIKeyNCZFFTUZKOTCLW-CKNIOMRDSA-N
MW190.33 g/mol
LogP4.48
Rot. Bonds6

About (5E,9E)-6,10-dimethyldodeca-5,9-dien-1-yne

(5E,9E)-6,10-dimethyldodeca-5,9-dien-1-yne (PubChem CID 159745410) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (5E,9E)-6,10-dimethyldodeca-5,9-dien-1-yne.

Molecular Properties

Compound Name(5E,9E)-6,10-dimethyldodeca-5,9-dien-1-yne
PubChem CID159745410
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(5E,9E)-6,10-dimethyldodeca-5,9-dien-1-yne
SMILESC#CCC/C=C(\C)CC/C=C(\C)CC
InChIInChI=1S/C14H22/c1-5-7-8-10-14(4)12-9-11-13(3)6-2/h1,10-11H,6-9,12H2,2-4H3/b13-11+,14-10+
InChIKeyNCZFFTUZKOTCLW-CKNIOMRDSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.48
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-methyloct-3-en-7-yn-1-ol
CID 11457729
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
CID 22749874
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885
(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
CID 160792784
ethyl (6E,10E)-2-chloro-6,10-dimethyl-3-oxopentadeca-6,10-dien-14-ynoate
CID 122380460
(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
4,8-dimethyldeca-3,7-dienenitrile
CID 167623930
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782

Frequently Asked Questions

What is the IUPAC name of (5E,9E)-6,10-dimethyldodeca-5,9-dien-1-yne?
The IUPAC name of (5E,9E)-6,10-dimethyldodeca-5,9-dien-1-yne (CID 159745410) is (5E,9E)-6,10-dimethyldodeca-5,9-dien-1-yne.
What is the SMILES notation for (5E,9E)-6,10-dimethyldodeca-5,9-dien-1-yne?
The canonical SMILES for (5E,9E)-6,10-dimethyldodeca-5,9-dien-1-yne is C#CCC/C=C(\C)CC/C=C(\C)CC.
What is the InChIKey of (5E,9E)-6,10-dimethyldodeca-5,9-dien-1-yne?
The InChIKey is NCZFFTUZKOTCLW-CKNIOMRDSA-N. The full InChI is InChI=1S/C14H22/c1-5-7-8-10-14(4)12-9-11-13(3)6-2/h1,10-11H,6-9,12H2,2-4H3/b13-11+,14-10+.
What are the key properties of (5E,9E)-6,10-dimethyldodeca-5,9-dien-1-yne?
(5E,9E)-6,10-dimethyldodeca-5,9-dien-1-yne has a molecular weight of 190.33 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-6,10-dimethyldodeca-5,9-dien-1-yne is sourced from PubChem (CID 159745410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).