(E)-6-hex-1-en-2-yldodec-5-en-7-yne

C18H30 — CID 135061698

IUPAC(E)-6-hex-1-en-2-yldodec-5-en-7-yne
SMILESC=C(CCCC)/C(C#CCCCC)=C\CCCC
InChIInChI=1S/C18H30/c1-5-8-11-13-16-18(15-12-9-6-2)17(4)14-10-7-3/h15H,4-12,14H2,1-3H3/b18-15-
InChIKeySDPQYOLKMKXNDV-SDXDJHTJSA-N
MW246.44 g/mol
LogP6.04
Rot. Bonds9

About (E)-6-hex-1-en-2-yldodec-5-en-7-yne

(E)-6-hex-1-en-2-yldodec-5-en-7-yne (PubChem CID 135061698) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is (E)-6-hex-1-en-2-yldodec-5-en-7-yne.

Molecular Properties

Compound Name(E)-6-hex-1-en-2-yldodec-5-en-7-yne
PubChem CID135061698
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name(E)-6-hex-1-en-2-yldodec-5-en-7-yne
SMILESC=C(CCCC)/C(C#CCCCC)=C\CCCC
InChIInChI=1S/C18H30/c1-5-8-11-13-16-18(15-12-9-6-2)17(4)14-10-7-3/h15H,4-12,14H2,1-3H3/b18-15-
InChIKeySDPQYOLKMKXNDV-SDXDJHTJSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-3-Methyl-4-methylideneoct-2-ene
CID 121232770
Sylveterpinolene
CID 524200
(all-E)-1,7,9-Heptadecatriene-11,13,15-triyne
CID 14409592
7-Ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene
CID 14753114
1,8,15-Heptadecatriene-11,13-diyne
CID 149752
(8E,15E)-1,8,15-Heptadecatriene-11,13-diyne
CID 131751122
1,7,9,15-Heptadecatetraene-11,13-diyne
CID 6442686
1,4-Diethyl-2-methylcyclopenta-1,3-diene
CID 139667464
1,8,15-Heptadecatriene-11,13-diyne, (E,E)-
CID 19801361
Heptadeca-1,7,9-trien-11,13,15-triyne
CID 72731071
CID 72738899
CID 72738899
CID 72738900
CID 72738900

Frequently Asked Questions

What is the IUPAC name of (E)-6-hex-1-en-2-yldodec-5-en-7-yne?
The IUPAC name of (E)-6-hex-1-en-2-yldodec-5-en-7-yne (CID 135061698) is (E)-6-hex-1-en-2-yldodec-5-en-7-yne.
What is the SMILES notation for (E)-6-hex-1-en-2-yldodec-5-en-7-yne?
The canonical SMILES for (E)-6-hex-1-en-2-yldodec-5-en-7-yne is C=C(CCCC)/C(C#CCCCC)=C\CCCC.
What is the InChIKey of (E)-6-hex-1-en-2-yldodec-5-en-7-yne?
The InChIKey is SDPQYOLKMKXNDV-SDXDJHTJSA-N. The full InChI is InChI=1S/C18H30/c1-5-8-11-13-16-18(15-12-9-6-2)17(4)14-10-7-3/h15H,4-12,14H2,1-3H3/b18-15-.
What are the key properties of (E)-6-hex-1-en-2-yldodec-5-en-7-yne?
(E)-6-hex-1-en-2-yldodec-5-en-7-yne has a molecular weight of 246.44 g/mol, XLogP of 6.04, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-hex-1-en-2-yldodec-5-en-7-yne is sourced from PubChem (CID 135061698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).