3-methyl-4-prop-1-enylundeca-1,7-dien-5-yne

C15H22 — CID 91356849

IUPAC3-methyl-4-prop-1-enylundeca-1,7-dien-5-yne
SMILESC=CC(C)C(C#CC=CCCC)C=CC
InChIInChI=1S/C15H22/c1-5-8-9-10-11-13-15(12-6-2)14(4)7-3/h6-7,9-10,12,14-15H,3,5,8H2,1-2,4H3
InChIKeyVMMGPZPNCFIPKI-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.36
Rot. Bonds5

About 3-methyl-4-prop-1-enylundeca-1,7-dien-5-yne

3-methyl-4-prop-1-enylundeca-1,7-dien-5-yne (PubChem CID 91356849) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-methyl-4-prop-1-enylundeca-1,7-dien-5-yne.

Molecular Properties

Compound Name3-methyl-4-prop-1-enylundeca-1,7-dien-5-yne
PubChem CID91356849
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name3-methyl-4-prop-1-enylundeca-1,7-dien-5-yne
SMILESC=CC(C)C(C#CC=CCCC)C=CC
InChIInChI=1S/C15H22/c1-5-8-9-10-11-13-15(12-6-2)14(4)7-3/h6-7,9-10,12,14-15H,3,5,8H2,1-2,4H3
InChIKeyVMMGPZPNCFIPKI-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.36
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
(Z)-4,5-Dimethylhex-2-ene
CID 6430915
3-Heptene, 2,6-dimethyl-
CID 5364654
4,5-Dimethyl-2,6-octadiene
CID 5365848
Npc69930
CID 5358333
(E)-2,7-Dimethyl-4-octene
CID 5352220
3-Hexene, dimethyl-, (E)-
CID 5357256
(E)-4,5-Dimethylhex-2-ene
CID 5463487
(Z)-6-Methylhept-3-ene
CID 6430919
(Z)-2,6-dimethyl-3-heptene
CID 10953509
3,4-Dimethyl-1,5-cyclooctadiene
CID 5365753

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-prop-1-enylundeca-1,7-dien-5-yne?
The IUPAC name of 3-methyl-4-prop-1-enylundeca-1,7-dien-5-yne (CID 91356849) is 3-methyl-4-prop-1-enylundeca-1,7-dien-5-yne.
What is the SMILES notation for 3-methyl-4-prop-1-enylundeca-1,7-dien-5-yne?
The canonical SMILES for 3-methyl-4-prop-1-enylundeca-1,7-dien-5-yne is C=CC(C)C(C#CC=CCCC)C=CC.
What is the InChIKey of 3-methyl-4-prop-1-enylundeca-1,7-dien-5-yne?
The InChIKey is VMMGPZPNCFIPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-5-8-9-10-11-13-15(12-6-2)14(4)7-3/h6-7,9-10,12,14-15H,3,5,8H2,1-2,4H3.
What are the key properties of 3-methyl-4-prop-1-enylundeca-1,7-dien-5-yne?
3-methyl-4-prop-1-enylundeca-1,7-dien-5-yne has a molecular weight of 202.34 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-prop-1-enylundeca-1,7-dien-5-yne is sourced from PubChem (CID 91356849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).