3,16-dimethylideneoctadeca-1,17-diyne

C20H30 — CID 10683495

IUPAC3,16-dimethylideneoctadeca-1,17-diyne
SMILESC#CC(=C)CCCCCCCCCCCCC(=C)C#C
InChIInChI=1S/C20H30/c1-5-19(3)17-15-13-11-9-7-8-10-12-14-16-18-20(4)6-2/h1-2H,3-4,7-18H2
InChIKeyBQDQSANUNAWECV-UHFFFAOYSA-N
MW270.46 g/mol
LogP6.05
Rot. Bonds13

About 3,16-dimethylideneoctadeca-1,17-diyne

3,16-dimethylideneoctadeca-1,17-diyne (PubChem CID 10683495) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 3,16-dimethylideneoctadeca-1,17-diyne.

Molecular Properties

Compound Name3,16-dimethylideneoctadeca-1,17-diyne
PubChem CID10683495
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name3,16-dimethylideneoctadeca-1,17-diyne
SMILESC#CC(=C)CCCCCCCCCCCCC(=C)C#C
InChIInChI=1S/C20H30/c1-5-19(3)17-15-13-11-9-7-8-10-12-14-16-18-20(4)6-2/h1-2H,3-4,7-18H2
InChIKeyBQDQSANUNAWECV-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-methylidenedodec-1-yne
CID 101018984
N-methyl-3-methylidenepent-4-yn-1-amine
CID 156648407
methyl 2-cyano-6-methylideneoct-7-ynoate
CID 11263988
2-methylidenehexadecanenitrile
CID 15496090
4-methylidenedodec-1-yne
CID 57132185
11-hydroxydodec-11-enoic acid
CID 23566131
heptadec-16-ynoic acid
CID 5312626
12-hydroxydodec-1-yn-3-one
CID 100952274
2,14-dimethylpentadeca-1,14-diene
CID 123962057
heptakis(decanedioic acid);ethene
CID 173236204
6,6-dideuteriooct-7-ynoic acid
CID 168934307
N'-methyl-3-methylidenepent-4-ynimidamide
CID 135293111

Frequently Asked Questions

What is the IUPAC name of 3,16-dimethylideneoctadeca-1,17-diyne?
The IUPAC name of 3,16-dimethylideneoctadeca-1,17-diyne (CID 10683495) is 3,16-dimethylideneoctadeca-1,17-diyne.
What is the SMILES notation for 3,16-dimethylideneoctadeca-1,17-diyne?
The canonical SMILES for 3,16-dimethylideneoctadeca-1,17-diyne is C#CC(=C)CCCCCCCCCCCCC(=C)C#C.
What is the InChIKey of 3,16-dimethylideneoctadeca-1,17-diyne?
The InChIKey is BQDQSANUNAWECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30/c1-5-19(3)17-15-13-11-9-7-8-10-12-14-16-18-20(4)6-2/h1-2H,3-4,7-18H2.
What are the key properties of 3,16-dimethylideneoctadeca-1,17-diyne?
3,16-dimethylideneoctadeca-1,17-diyne has a molecular weight of 270.46 g/mol, XLogP of 6.05, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,16-dimethylideneoctadeca-1,17-diyne is sourced from PubChem (CID 10683495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).