(4Z)-3-(dimethoxymethyl)hepta-2,4-diene

C10H18O2 — CID 152757472

IUPAC(4Z)-3-(dimethoxymethyl)hepta-2,4-diene
SMILESCC=C(/C=C\CC)C(OC)OC
InChIInChI=1S/C10H18O2/c1-5-7-8-9(6-2)10(11-3)12-4/h6-8,10H,5H2,1-4H3/b8-7-,9-6?
InChIKeyBSFWKMMMUMZGRV-JUAXCNNKSA-N
MW170.25 g/mol
LogP2.52
Rot. Bonds5

About (4Z)-3-(dimethoxymethyl)hepta-2,4-diene

(4Z)-3-(dimethoxymethyl)hepta-2,4-diene (PubChem CID 152757472) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (4Z)-3-(dimethoxymethyl)hepta-2,4-diene.

Molecular Properties

Compound Name(4Z)-3-(dimethoxymethyl)hepta-2,4-diene
PubChem CID152757472
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(4Z)-3-(dimethoxymethyl)hepta-2,4-diene
SMILESCC=C(/C=C\CC)C(OC)OC
InChIInChI=1S/C10H18O2/c1-5-7-8-9(6-2)10(11-3)12-4/h6-8,10H,5H2,1-4H3/b8-7-,9-6?
InChIKeyBSFWKMMMUMZGRV-JUAXCNNKSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (4Z)-3-(dimethoxymethyl)hepta-2,4-diene 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

3-[ethoxy(methoxy)methyl]hexa-2,4-diene
CID 173460138
(Z,5Z)-5-ethylidene-6,8-dimethyldec-3-ene
CID 142926995
(2E,4E)-3-ethylhepta-2,4-diene
CID 19878662
(2E)-3-fluorohepta-2,4-diene
CID 143797404
1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene
CID 142049182
methyl N-[(E)-pent-2-enoyl]carbamate
CID 11615207
ethane;(Z,5E)-5-ethylidene-7,7,9,9-tetramethyl-6-methylsulfanyldec-3-ene
CID 144509144
(Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine
CID 153400130
[2-[(Z,3E)-3-[(E)-3-methoxyprop-2-enylidene]hept-4-en-2-yl]oxy-3-methylpentyl]cyclopropane
CID 143642379
2-methoxy-2-octadeca-3,6,9,12,15-pentaenoxyacetic acid
CID 91579093
(Z)-1-methoxy-N-methylhex-3-en-2-imine
CID 142059261
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-(dimethoxymethyl)hepta-2,4-diene?
The IUPAC name of (4Z)-3-(dimethoxymethyl)hepta-2,4-diene (CID 152757472) is (4Z)-3-(dimethoxymethyl)hepta-2,4-diene.
What is the SMILES notation for (4Z)-3-(dimethoxymethyl)hepta-2,4-diene?
The canonical SMILES for (4Z)-3-(dimethoxymethyl)hepta-2,4-diene is CC=C(/C=C\CC)C(OC)OC.
What is the InChIKey of (4Z)-3-(dimethoxymethyl)hepta-2,4-diene?
The InChIKey is BSFWKMMMUMZGRV-JUAXCNNKSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-7-8-9(6-2)10(11-3)12-4/h6-8,10H,5H2,1-4H3/b8-7-,9-6?.
What are the key properties of (4Z)-3-(dimethoxymethyl)hepta-2,4-diene?
(4Z)-3-(dimethoxymethyl)hepta-2,4-diene has a molecular weight of 170.25 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-(dimethoxymethyl)hepta-2,4-diene is sourced from PubChem (CID 152757472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).