(6E,8S,10Z)-8-methyltrideca-6,10-dien-1,4-diyne

C14H18 — CID 59372849

IUPAC(6E,8S,10Z)-8-methyltrideca-6,10-dien-1,4-diyne
SMILESC#CCC#C/C=C/[C@@H](C)C/C=C\CC
InChIInChI=1S/C14H18/c1-4-6-8-9-11-13-14(3)12-10-7-5-2/h1,7,10-11,13-14H,5-6,12H2,2-3H3/b10-7-,13-11+/t14-/m0/s1
InChIKeyGAVHQCWIGRZFBS-XMWJRFOLSA-N
MW186.30 g/mol
LogP3.56
Rot. Bonds4

About (6E,8S,10Z)-8-methyltrideca-6,10-dien-1,4-diyne

(6E,8S,10Z)-8-methyltrideca-6,10-dien-1,4-diyne (PubChem CID 59372849) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is (6E,8S,10Z)-8-methyltrideca-6,10-dien-1,4-diyne.

Molecular Properties

Compound Name(6E,8S,10Z)-8-methyltrideca-6,10-dien-1,4-diyne
PubChem CID59372849
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name(6E,8S,10Z)-8-methyltrideca-6,10-dien-1,4-diyne
SMILESC#CCC#C/C=C/[C@@H](C)C/C=C\CC
InChIInChI=1S/C14H18/c1-4-6-8-9-11-13-14(3)12-10-7-5-2/h1,7,10-11,13-14H,5-6,12H2,2-3H3/b10-7-,13-11+/t14-/m0/s1
InChIKeyGAVHQCWIGRZFBS-XMWJRFOLSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-3-heptene (cis-and trans-mixture)
CID 5462826
2,6-Dimethyl-3-heptene
CID 102326
3-Heptene, 2,6-dimethyl-
CID 5364654
Npc69930
CID 5358333
(E)-2,7-Dimethyl-4-octene
CID 5352220
3-Hexene, dimethyl-, (E)-
CID 5357256
(Z)-6-Methylhept-3-ene
CID 6430919
(Z)-2,6-dimethyl-3-heptene
CID 10953509
3-Octen-5-yne, 2,7-dimethyl-, (Z)-
CID 5368770
(Z)-5-Methylhept-3-ene
CID 5364727
3-Methyl-4-octene
CID 54030234
2-Methyloct-4-ene
CID 5463409

Frequently Asked Questions

What is the IUPAC name of (6E,8S,10Z)-8-methyltrideca-6,10-dien-1,4-diyne?
The IUPAC name of (6E,8S,10Z)-8-methyltrideca-6,10-dien-1,4-diyne (CID 59372849) is (6E,8S,10Z)-8-methyltrideca-6,10-dien-1,4-diyne.
What is the SMILES notation for (6E,8S,10Z)-8-methyltrideca-6,10-dien-1,4-diyne?
The canonical SMILES for (6E,8S,10Z)-8-methyltrideca-6,10-dien-1,4-diyne is C#CCC#C/C=C/[C@@H](C)C/C=C\CC.
What is the InChIKey of (6E,8S,10Z)-8-methyltrideca-6,10-dien-1,4-diyne?
The InChIKey is GAVHQCWIGRZFBS-XMWJRFOLSA-N. The full InChI is InChI=1S/C14H18/c1-4-6-8-9-11-13-14(3)12-10-7-5-2/h1,7,10-11,13-14H,5-6,12H2,2-3H3/b10-7-,13-11+/t14-/m0/s1.
What are the key properties of (6E,8S,10Z)-8-methyltrideca-6,10-dien-1,4-diyne?
(6E,8S,10Z)-8-methyltrideca-6,10-dien-1,4-diyne has a molecular weight of 186.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8S,10Z)-8-methyltrideca-6,10-dien-1,4-diyne is sourced from PubChem (CID 59372849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).