1-methoxydec-2-en-4,6,8-triyne

C11H10O — CID 162946868

IUPAC1-methoxydec-2-en-4,6,8-triyne
SMILESCC#CC#CC#CC=CCOC
InChIInChI=1S/C11H10O/c1-3-4-5-6-7-8-9-10-11-12-2/h9-10H,11H2,1-2H3
InChIKeyPZLZEXRSLQTBJE-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.22
Rot. Bonds2

About 1-methoxydec-2-en-4,6,8-triyne

1-methoxydec-2-en-4,6,8-triyne (PubChem CID 162946868) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-methoxydec-2-en-4,6,8-triyne.

Molecular Properties

Compound Name1-methoxydec-2-en-4,6,8-triyne
PubChem CID162946868
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name1-methoxydec-2-en-4,6,8-triyne
SMILESCC#CC#CC#CC=CCOC
InChIInChI=1S/C11H10O/c1-3-4-5-6-7-8-9-10-11-12-2/h9-10H,11H2,1-2H3
InChIKeyPZLZEXRSLQTBJE-UHFFFAOYSA-N
XLogP1.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1,4-dimethoxybut-2-ene
CID 5386697
1-Methoxy-dec-2-ene-4,6,8-triyne
CID 139584845
Trans-1,4-dimethoxy-2-butene
CID 5362882
2-Butene, 1-methoxy-, (E)-
CID 5366216
2-Butyne, 1-(2-propenyloxy)-
CID 11147683
(E)-1-[(E)-but-2-enoxy]but-2-ene
CID 14533154
Crotyl ether
CID 53823046
2-Butenyl ethyl ether
CID 5358345
1-But-3-ynoxyhexa-2,4-diene
CID 86197565
(E)-1-prop-2-ynoxybut-2-ene
CID 12749729
(E)-1,4-bis(prop-2-ynoxy)but-2-ene
CID 102258477
Ethoxybut-2-ene
CID 316613

Frequently Asked Questions

What is the IUPAC name of 1-methoxydec-2-en-4,6,8-triyne?
The IUPAC name of 1-methoxydec-2-en-4,6,8-triyne (CID 162946868) is 1-methoxydec-2-en-4,6,8-triyne.
What is the SMILES notation for 1-methoxydec-2-en-4,6,8-triyne?
The canonical SMILES for 1-methoxydec-2-en-4,6,8-triyne is CC#CC#CC#CC=CCOC.
What is the InChIKey of 1-methoxydec-2-en-4,6,8-triyne?
The InChIKey is PZLZEXRSLQTBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c1-3-4-5-6-7-8-9-10-11-12-2/h9-10H,11H2,1-2H3.
What are the key properties of 1-methoxydec-2-en-4,6,8-triyne?
1-methoxydec-2-en-4,6,8-triyne has a molecular weight of 158.20 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxydec-2-en-4,6,8-triyne is sourced from PubChem (CID 162946868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).