(3Z,5Z)-7-methoxy-2-methylhepta-1,3,5-triene

C9H14O — CID 143035425

IUPAC(3Z,5Z)-7-methoxy-2-methylhepta-1,3,5-triene
SMILESC=C(C)/C=C\C=C/COC
InChIInChI=1S/C9H14O/c1-9(2)7-5-4-6-8-10-3/h4-7H,1,8H2,2-3H3/b6-4-,7-5-
InChIKeyAWXVATPNBNSIBK-PEPZGXQESA-N
MW138.21 g/mol
LogP2.32
Rot. Bonds4

About (3Z,5Z)-7-methoxy-2-methylhepta-1,3,5-triene

(3Z,5Z)-7-methoxy-2-methylhepta-1,3,5-triene (PubChem CID 143035425) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (3Z,5Z)-7-methoxy-2-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-7-methoxy-2-methylhepta-1,3,5-triene
PubChem CID143035425
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(3Z,5Z)-7-methoxy-2-methylhepta-1,3,5-triene
SMILESC=C(C)/C=C\C=C/COC
InChIInChI=1S/C9H14O/c1-9(2)7-5-4-6-8-10-3/h4-7H,1,8H2,2-3H3/b6-4-,7-5-
InChIKeyAWXVATPNBNSIBK-PEPZGXQESA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-2-methylnona-1,3,5,8-tetraene
CID 144596669
(3E,6E)-8-methoxy-2,6-dimethylocta-1,3,6-triene
CID 20643241
(3Z,5Z)-2,10-dimethylundeca-1,3,5,9-tetraene
CID 143275541
2-methylhepta-1,3,5-triene
CID 54571604
(3Z,5Z)-7-methoxy-4-methylhepta-1,3,5-triene
CID 89381358
(3Z,4Z)-3-ethylidene-6-methoxyhexa-1,4-dien-2-amine
CID 155697747
(3E)-N-ethyl-5-methoxypenta-1,3-dien-2-amine
CID 169217501
1-methoxypent-2-ene
CID 551185
2-methoxy-N-methylethanamine;(3Z)-2-methylhexa-1,3,5-triene
CID 144959851
(3Z,5Z)-2-methylideneocta-3,5-dien-1-amine
CID 143910764
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(3Z)-2,6-dimethylhepta-1,3,5-triene
CID 96562826

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-7-methoxy-2-methylhepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-7-methoxy-2-methylhepta-1,3,5-triene (CID 143035425) is (3Z,5Z)-7-methoxy-2-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-7-methoxy-2-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-7-methoxy-2-methylhepta-1,3,5-triene is C=C(C)/C=C\C=C/COC.
What is the InChIKey of (3Z,5Z)-7-methoxy-2-methylhepta-1,3,5-triene?
The InChIKey is AWXVATPNBNSIBK-PEPZGXQESA-N. The full InChI is InChI=1S/C9H14O/c1-9(2)7-5-4-6-8-10-3/h4-7H,1,8H2,2-3H3/b6-4-,7-5-.
What are the key properties of (3Z,5Z)-7-methoxy-2-methylhepta-1,3,5-triene?
(3Z,5Z)-7-methoxy-2-methylhepta-1,3,5-triene has a molecular weight of 138.21 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-7-methoxy-2-methylhepta-1,3,5-triene is sourced from PubChem (CID 143035425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).