(3Z)-6-methoxy-3-(2-methoxyethylidene)-2-(methoxymethyl)hex-1-en-4-yne

C12H18O3 — CID 135080445

IUPAC(3Z)-6-methoxy-3-(2-methoxyethylidene)-2-(methoxymethyl)hex-1-en-4-yne
SMILESC=C(COC)/C(C#CCOC)=C\COC
InChIInChI=1S/C12H18O3/c1-11(10-15-4)12(7-9-14-3)6-5-8-13-2/h7H,1,8-10H2,2-4H3/b12-7-
InChIKeyBCWGPFOPPBTXFY-GHXNOFRVSA-N
MW210.27 g/mol
LogP1.41
Rot. Bonds6

About (3Z)-6-methoxy-3-(2-methoxyethylidene)-2-(methoxymethyl)hex-1-en-4-yne

(3Z)-6-methoxy-3-(2-methoxyethylidene)-2-(methoxymethyl)hex-1-en-4-yne (PubChem CID 135080445) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (3Z)-6-methoxy-3-(2-methoxyethylidene)-2-(methoxymethyl)hex-1-en-4-yne.

Molecular Properties

Compound Name(3Z)-6-methoxy-3-(2-methoxyethylidene)-2-(methoxymethyl)hex-1-en-4-yne
PubChem CID135080445
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(3Z)-6-methoxy-3-(2-methoxyethylidene)-2-(methoxymethyl)hex-1-en-4-yne
SMILESC=C(COC)/C(C#CCOC)=C\COC
InChIInChI=1S/C12H18O3/c1-11(10-15-4)12(7-9-14-3)6-5-8-13-2/h7H,1,8-10H2,2-4H3/b12-7-
InChIKeyBCWGPFOPPBTXFY-GHXNOFRVSA-N
XLogP1.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z)-6-methoxy-3-(2-methoxyethylidene)-2-(methoxymethyl)hex-1-en-4-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1,5-dimethoxy-3-methylpent-2-ene
CID 12721677
4-hex-1-ynyl-3,6-dihydro-2H-pyran
CID 164687039
(E)-1,5-dibutoxy-3-methylpent-2-ene
CID 12721675
(2Z,4Z,6E)-6-(methoxymethyl)nona-2,4,6-triene
CID 88900517
(4Z,6E)-6-(methoxymethyl)-2-methylocta-2,4,6-triene
CID 88905805
(2Z,4E,6Z)-5-(methoxymethyl)nona-2,4,6-triene
CID 89371027
3-(Methoxymethyl)-2,4-dimethylhepta-1,3,5-triene
CID 91599949
(3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene
CID 118070320
3-(Methoxymethyl)-2-methylhexa-2,4-diene
CID 123167394
5-Ethyl-3-(methoxymethyl)hepta-2,4-diene
CID 123423064
2,6-Dimethoxy-3-methylhexa-1,3-diene
CID 123429220
5-(Methoxymethyl)hepta-2,4-diene
CID 123958176

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-methoxy-3-(2-methoxyethylidene)-2-(methoxymethyl)hex-1-en-4-yne?
The IUPAC name of (3Z)-6-methoxy-3-(2-methoxyethylidene)-2-(methoxymethyl)hex-1-en-4-yne (CID 135080445) is (3Z)-6-methoxy-3-(2-methoxyethylidene)-2-(methoxymethyl)hex-1-en-4-yne.
What is the SMILES notation for (3Z)-6-methoxy-3-(2-methoxyethylidene)-2-(methoxymethyl)hex-1-en-4-yne?
The canonical SMILES for (3Z)-6-methoxy-3-(2-methoxyethylidene)-2-(methoxymethyl)hex-1-en-4-yne is C=C(COC)/C(C#CCOC)=C\COC.
What is the InChIKey of (3Z)-6-methoxy-3-(2-methoxyethylidene)-2-(methoxymethyl)hex-1-en-4-yne?
The InChIKey is BCWGPFOPPBTXFY-GHXNOFRVSA-N. The full InChI is InChI=1S/C12H18O3/c1-11(10-15-4)12(7-9-14-3)6-5-8-13-2/h7H,1,8-10H2,2-4H3/b12-7-.
What are the key properties of (3Z)-6-methoxy-3-(2-methoxyethylidene)-2-(methoxymethyl)hex-1-en-4-yne?
(3Z)-6-methoxy-3-(2-methoxyethylidene)-2-(methoxymethyl)hex-1-en-4-yne has a molecular weight of 210.27 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-methoxy-3-(2-methoxyethylidene)-2-(methoxymethyl)hex-1-en-4-yne is sourced from PubChem (CID 135080445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).