(3Z,7Z)-9-methoxy-2,5,6-trimethylidenedeca-3,7,9-trienal

C14H16O2 — CID 143285521

IUPAC(3Z,7Z)-9-methoxy-2,5,6-trimethylidenedeca-3,7,9-trienal
SMILESC=C(C=O)/C=C\C(=C)C(=C)/C=C\C(=C)OC
InChIInChI=1S/C14H16O2/c1-11(10-15)6-7-12(2)13(3)8-9-14(4)16-5/h6-10H,1-4H2,5H3/b7-6-,9-8-
InChIKeyVGDXKUKZYPVMMB-JPDBVBESSA-N
MW216.28 g/mol
LogP3.13
Rot. Bonds7

About (3Z,7Z)-9-methoxy-2,5,6-trimethylidenedeca-3,7,9-trienal

(3Z,7Z)-9-methoxy-2,5,6-trimethylidenedeca-3,7,9-trienal (PubChem CID 143285521) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (3Z,7Z)-9-methoxy-2,5,6-trimethylidenedeca-3,7,9-trienal.

Molecular Properties

Compound Name(3Z,7Z)-9-methoxy-2,5,6-trimethylidenedeca-3,7,9-trienal
PubChem CID143285521
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(3Z,7Z)-9-methoxy-2,5,6-trimethylidenedeca-3,7,9-trienal
SMILESC=C(C=O)/C=C\C(=C)C(=C)/C=C\C(=C)OC
InChIInChI=1S/C14H16O2/c1-11(10-15)6-7-12(2)13(3)8-9-14(4)16-5/h6-10H,1-4H2,5H3/b7-6-,9-8-
InChIKeyVGDXKUKZYPVMMB-JPDBVBESSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,6E)-8-methoxy-2,6-dimethylocta-2,6-dienal
CID 15045773
3-(2-Fluoropropan-2-yloxy)cyclohepta-1,3,5-triene-1-carbaldehyde
CID 130285568
(3Z)-6-methyl-2-methylidene-5-(4,4,4-trifluorobutoxy)hepta-3,5-dienal
CID 134549422
4-Fluoro-4-methoxycyclohexa-1,5-diene-1-carbaldehyde
CID 142735910
4-(1-Ethoxyethenyl)-3-fluorocyclohepta-1,3,6-triene-1-carbaldehyde
CID 143545325
(3E)-5-methoxy-2-methylidene-4-(trifluoromethyl)hexa-3,5-dienal
CID 143962385
(3E)-3-fluoro-5-methoxy-2-methylidenehexa-3,5-dienal
CID 144321574
2,2-Dimethyl-2h-pyran-5-carbaldehyde
CID 14116468
(3E,5E)-5-[[(1E,3Z,6Z)-cycloocta-1,3,6-trien-1-yl]methoxy]-4,7-difluoro-2-methylideneocta-3,5-dienal
CID 143713089
(2E,3Z)-2-ethylidene-5-(trifluoromethoxy)hexa-3,5-dienal
CID 155598831
(2Z,4E,6Z)-4-fluoro-5-methoxy-3-(2-methylprop-1-enyl)-2-[(E)-pent-1-enyl]nona-2,4,6,8-tetraenal
CID 163390902
8-Methoxy-2,6-dimethylocta-2,6-dienal
CID 85630381

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-9-methoxy-2,5,6-trimethylidenedeca-3,7,9-trienal?
The IUPAC name of (3Z,7Z)-9-methoxy-2,5,6-trimethylidenedeca-3,7,9-trienal (CID 143285521) is (3Z,7Z)-9-methoxy-2,5,6-trimethylidenedeca-3,7,9-trienal.
What is the SMILES notation for (3Z,7Z)-9-methoxy-2,5,6-trimethylidenedeca-3,7,9-trienal?
The canonical SMILES for (3Z,7Z)-9-methoxy-2,5,6-trimethylidenedeca-3,7,9-trienal is C=C(C=O)/C=C\C(=C)C(=C)/C=C\C(=C)OC.
What is the InChIKey of (3Z,7Z)-9-methoxy-2,5,6-trimethylidenedeca-3,7,9-trienal?
The InChIKey is VGDXKUKZYPVMMB-JPDBVBESSA-N. The full InChI is InChI=1S/C14H16O2/c1-11(10-15)6-7-12(2)13(3)8-9-14(4)16-5/h6-10H,1-4H2,5H3/b7-6-,9-8-.
What are the key properties of (3Z,7Z)-9-methoxy-2,5,6-trimethylidenedeca-3,7,9-trienal?
(3Z,7Z)-9-methoxy-2,5,6-trimethylidenedeca-3,7,9-trienal has a molecular weight of 216.28 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-9-methoxy-2,5,6-trimethylidenedeca-3,7,9-trienal is sourced from PubChem (CID 143285521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).