10-methylheptadeca-1,8-dien-11,13-diyne

C18H26 — CID 162916532

IUPAC10-methylheptadeca-1,8-dien-11,13-diyne
SMILESC=CCCCCCC=CC(C)C#CC#CCCC
InChIInChI=1S/C18H26/c1-4-6-8-10-11-13-15-17-18(3)16-14-12-9-7-5-2/h4,15,17-18H,1,5-8,10-11,13H2,2-3H3
InChIKeyZWVBCEPQZNJNTB-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.12
Rot. Bonds8

About 10-methylheptadeca-1,8-dien-11,13-diyne

10-methylheptadeca-1,8-dien-11,13-diyne (PubChem CID 162916532) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 10-methylheptadeca-1,8-dien-11,13-diyne.

Molecular Properties

Compound Name10-methylheptadeca-1,8-dien-11,13-diyne
PubChem CID162916532
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name10-methylheptadeca-1,8-dien-11,13-diyne
SMILESC=CCCCCCC=CC(C)C#CC#CCCC
InChIInChI=1S/C18H26/c1-4-6-8-10-11-13-15-17-18(3)16-14-12-9-7-5-2/h4,15,17-18H,1,5-8,10-11,13H2,2-3H3
InChIKeyZWVBCEPQZNJNTB-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.12
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

(8Z,10S)-10-methylheptadeca-1,8-dien-11,13-diyne
CID 162916533
heptadec-16-en-4,6-diyn-8-ol
CID 162872076
(8S,9R,10R)-heptadec-1-en-11,13-diyne-8,9,10-triol
CID 162905803
(8S,9R,10S)-heptadec-1-en-11,13-diyne-8,9,10-triol
CID 71351784
(8S)-heptadec-9-en-4,6-diyne-1,8-diol
CID 163003723
(8S)-heptadeca-9,16-dien-4,6-diyne-2,3,8-triol
CID 71405899
(2S,3R,8S,9E)-heptadeca-9,16-dien-4,6-diyne-2,3,8-triol
CID 44566958
heptadec-16-en-4,6-diyne-3,9,10-triol
CID 75972014
triaconta-1,19-diene
CID 54007897
hexadeca-1,10-diene
CID 56606054
(10E)-hexadeca-1,10-diene
CID 156743041
pentacosa-1,16-diene
CID 57082437

Frequently Asked Questions

What is the IUPAC name of 10-methylheptadeca-1,8-dien-11,13-diyne?
The IUPAC name of 10-methylheptadeca-1,8-dien-11,13-diyne (CID 162916532) is 10-methylheptadeca-1,8-dien-11,13-diyne.
What is the SMILES notation for 10-methylheptadeca-1,8-dien-11,13-diyne?
The canonical SMILES for 10-methylheptadeca-1,8-dien-11,13-diyne is C=CCCCCCC=CC(C)C#CC#CCCC.
What is the InChIKey of 10-methylheptadeca-1,8-dien-11,13-diyne?
The InChIKey is ZWVBCEPQZNJNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-4-6-8-10-11-13-15-17-18(3)16-14-12-9-7-5-2/h4,15,17-18H,1,5-8,10-11,13H2,2-3H3.
What are the key properties of 10-methylheptadeca-1,8-dien-11,13-diyne?
10-methylheptadeca-1,8-dien-11,13-diyne has a molecular weight of 242.41 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylheptadeca-1,8-dien-11,13-diyne is sourced from PubChem (CID 162916532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).