4-(methoxymethyl)-4-prop-2-enylhepta-1,6-diene

C12H20O — CID 164754122

IUPAC4-(methoxymethyl)-4-prop-2-enylhepta-1,6-diene
SMILESC=CCC(CC=C)(CC=C)COC
InChIInChI=1S/C12H20O/c1-5-8-12(9-6-2,10-7-3)11-13-4/h5-7H,1-3,8-11H2,4H3
InChIKeyGMOGGLUJWYPHSX-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.35
Rot. Bonds8

About 4-(methoxymethyl)-4-prop-2-enylhepta-1,6-diene

4-(methoxymethyl)-4-prop-2-enylhepta-1,6-diene (PubChem CID 164754122) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-(methoxymethyl)-4-prop-2-enylhepta-1,6-diene.

Molecular Properties

Compound Name4-(methoxymethyl)-4-prop-2-enylhepta-1,6-diene
PubChem CID164754122
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name4-(methoxymethyl)-4-prop-2-enylhepta-1,6-diene
SMILESC=CCC(CC=C)(CC=C)COC
InChIInChI=1S/C12H20O/c1-5-8-12(9-6-2,10-7-3)11-13-4/h5-7H,1-3,8-11H2,4H3
InChIKeyGMOGGLUJWYPHSX-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-2-methylpent-4-en-1-ol
CID 126972063
4,4-Bis(methoxymethyl)-1,6-heptadiene
CID 11074076
4,4-Bis(ethoxymethyl)-1,6-heptadiene
CID 102449668
4,4-Bis(methoxymethyl)-5-methylhex-1-ene
CID 138966360
6-(Difluoromethoxy)-4,4-dimethylhex-1-ene
CID 132108340
5-Methoxy-3,3-dimethylpent-1-ene
CID 14738109
4,4-Bis(methoxymethyl)oct-1-en-6-yne
CID 101229212
Di(3,3-dimethylhex-5-enyl) peroxide
CID 129828977
5-Methoxy-4-(methoxymethyl)-4-methylpent-1-ene
CID 10855749
(1E)-1-methoxy-3,3-dimethylhexa-1,5-diene
CID 13967093
2-Methyl-2-prop-2-enylpent-4-en-1-ol
CID 15564145
2-Ethyl-2-prop-2-enylpent-4-en-1-ol
CID 19091569

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-4-prop-2-enylhepta-1,6-diene?
The IUPAC name of 4-(methoxymethyl)-4-prop-2-enylhepta-1,6-diene (CID 164754122) is 4-(methoxymethyl)-4-prop-2-enylhepta-1,6-diene.
What is the SMILES notation for 4-(methoxymethyl)-4-prop-2-enylhepta-1,6-diene?
The canonical SMILES for 4-(methoxymethyl)-4-prop-2-enylhepta-1,6-diene is C=CCC(CC=C)(CC=C)COC.
What is the InChIKey of 4-(methoxymethyl)-4-prop-2-enylhepta-1,6-diene?
The InChIKey is GMOGGLUJWYPHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-5-8-12(9-6-2,10-7-3)11-13-4/h5-7H,1-3,8-11H2,4H3.
What are the key properties of 4-(methoxymethyl)-4-prop-2-enylhepta-1,6-diene?
4-(methoxymethyl)-4-prop-2-enylhepta-1,6-diene has a molecular weight of 180.29 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-4-prop-2-enylhepta-1,6-diene is sourced from PubChem (CID 164754122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).