7-ethyl-3,4-dimethyldeca-1,8-dien-5-yne

C14H22 — CID 91487021

IUPAC7-ethyl-3,4-dimethyldeca-1,8-dien-5-yne
SMILESC=CC(C)C(C)C#CC(C=CC)CC
InChIInChI=1S/C14H22/c1-6-9-14(8-3)11-10-13(5)12(4)7-2/h6-7,9,12-14H,2,8H2,1,3-5H3
InChIKeyOHRNPLUZKZZSRV-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.05
Rot. Bonds4

About 7-ethyl-3,4-dimethyldeca-1,8-dien-5-yne

7-ethyl-3,4-dimethyldeca-1,8-dien-5-yne (PubChem CID 91487021) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 7-ethyl-3,4-dimethyldeca-1,8-dien-5-yne.

Molecular Properties

Compound Name7-ethyl-3,4-dimethyldeca-1,8-dien-5-yne
PubChem CID91487021
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name7-ethyl-3,4-dimethyldeca-1,8-dien-5-yne
SMILESC=CC(C)C(C)C#CC(C=CC)CC
InChIInChI=1S/C14H22/c1-6-9-14(8-3)11-10-13(5)12(4)7-2/h6-7,9,12-14H,2,8H2,1,3-5H3
InChIKeyOHRNPLUZKZZSRV-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.05
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 7-ethyl-3,4-dimethyldeca-1,8-dien-5-yne?
The IUPAC name of 7-ethyl-3,4-dimethyldeca-1,8-dien-5-yne (CID 91487021) is 7-ethyl-3,4-dimethyldeca-1,8-dien-5-yne.
What is the SMILES notation for 7-ethyl-3,4-dimethyldeca-1,8-dien-5-yne?
The canonical SMILES for 7-ethyl-3,4-dimethyldeca-1,8-dien-5-yne is C=CC(C)C(C)C#CC(C=CC)CC.
What is the InChIKey of 7-ethyl-3,4-dimethyldeca-1,8-dien-5-yne?
The InChIKey is OHRNPLUZKZZSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-6-9-14(8-3)11-10-13(5)12(4)7-2/h6-7,9,12-14H,2,8H2,1,3-5H3.
What are the key properties of 7-ethyl-3,4-dimethyldeca-1,8-dien-5-yne?
7-ethyl-3,4-dimethyldeca-1,8-dien-5-yne has a molecular weight of 190.33 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,4-dimethyldeca-1,8-dien-5-yne is sourced from PubChem (CID 91487021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).