3-methyltridec-1-en-10-yne

C14H24 — CID 122231090

IUPAC3-methyltridec-1-en-10-yne
SMILESC=CC(C)CCCCCCC#CCC
InChIInChI=1S/C14H24/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h5,14H,2,4,8-13H2,1,3H3
InChIKeyHTQBEWOYBKSXNR-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.56
Rot. Bonds7

About 3-methyltridec-1-en-10-yne

3-methyltridec-1-en-10-yne (PubChem CID 122231090) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 3-methyltridec-1-en-10-yne.

Molecular Properties

Compound Name3-methyltridec-1-en-10-yne
PubChem CID122231090
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name3-methyltridec-1-en-10-yne
SMILESC=CC(C)CCCCCCC#CCC
InChIInChI=1S/C14H24/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h5,14H,2,4,8-13H2,1,3H3
InChIKeyHTQBEWOYBKSXNR-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.56
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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Frequently Asked Questions

What is the IUPAC name of 3-methyltridec-1-en-10-yne?
The IUPAC name of 3-methyltridec-1-en-10-yne (CID 122231090) is 3-methyltridec-1-en-10-yne.
What is the SMILES notation for 3-methyltridec-1-en-10-yne?
The canonical SMILES for 3-methyltridec-1-en-10-yne is C=CC(C)CCCCCCC#CCC.
What is the InChIKey of 3-methyltridec-1-en-10-yne?
The InChIKey is HTQBEWOYBKSXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h5,14H,2,4,8-13H2,1,3H3.
What are the key properties of 3-methyltridec-1-en-10-yne?
3-methyltridec-1-en-10-yne has a molecular weight of 192.35 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyltridec-1-en-10-yne is sourced from PubChem (CID 122231090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).