(1Z,3E,4Z)-3-ethylidene-1-methoxy-2-methylhexa-1,4-diene

C10H16O — CID 142869490

IUPAC(1Z,3E,4Z)-3-ethylidene-1-methoxy-2-methylhexa-1,4-diene
SMILESC/C=C\C(=C/C)\C(C)=C/OC
InChIInChI=1S/C10H16O/c1-5-7-10(6-2)9(3)8-11-4/h5-8H,1-4H3/b7-5-,9-8-,10-6+
InChIKeyCIHSSFPMSAQWNO-IMNGTFMBSA-N
MW152.24 g/mol
LogP3.06
Rot. Bonds3

About (1Z,3E,4Z)-3-ethylidene-1-methoxy-2-methylhexa-1,4-diene

(1Z,3E,4Z)-3-ethylidene-1-methoxy-2-methylhexa-1,4-diene (PubChem CID 142869490) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1Z,3E,4Z)-3-ethylidene-1-methoxy-2-methylhexa-1,4-diene.

Molecular Properties

Compound Name(1Z,3E,4Z)-3-ethylidene-1-methoxy-2-methylhexa-1,4-diene
PubChem CID142869490
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1Z,3E,4Z)-3-ethylidene-1-methoxy-2-methylhexa-1,4-diene
SMILESC/C=C\C(=C/C)\C(C)=C/OC
InChIInChI=1S/C10H16O/c1-5-7-10(6-2)9(3)8-11-4/h5-8H,1-4H3/b7-5-,9-8-,10-6+
InChIKeyCIHSSFPMSAQWNO-IMNGTFMBSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethylidene-5-methylocta-2,5-diene
CID 123325862
(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
CID 142964222
(2E,4Z,7Z)-6-ethylidene-2,5-dimethylnona-2,4,7-trienenitrile
CID 173281041
1-methoxy-2-methylprop-1-ene
CID 551188
silyl 3-methoxy-2-methylprop-2-enoate
CID 123873390
(3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 130219587
(2E)-2-ethylidenepent-3-enoic acid
CID 162183190
1-methoxy-2-methylprop-1-ene;hydrofluoride
CID 174504436
(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
methanidylidyneazanium;3-methoxy-2-methylprop-2-enoic acid
CID 87773746
ethane;methyl (Z,4E)-4-ethylidene-3-oxohept-5-enoate
CID 144574028
2-methoxyethyl 2-ethylidenepent-3-enoate
CID 123997768

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,4Z)-3-ethylidene-1-methoxy-2-methylhexa-1,4-diene?
The IUPAC name of (1Z,3E,4Z)-3-ethylidene-1-methoxy-2-methylhexa-1,4-diene (CID 142869490) is (1Z,3E,4Z)-3-ethylidene-1-methoxy-2-methylhexa-1,4-diene.
What is the SMILES notation for (1Z,3E,4Z)-3-ethylidene-1-methoxy-2-methylhexa-1,4-diene?
The canonical SMILES for (1Z,3E,4Z)-3-ethylidene-1-methoxy-2-methylhexa-1,4-diene is C/C=C\C(=C/C)\C(C)=C/OC.
What is the InChIKey of (1Z,3E,4Z)-3-ethylidene-1-methoxy-2-methylhexa-1,4-diene?
The InChIKey is CIHSSFPMSAQWNO-IMNGTFMBSA-N. The full InChI is InChI=1S/C10H16O/c1-5-7-10(6-2)9(3)8-11-4/h5-8H,1-4H3/b7-5-,9-8-,10-6+.
What are the key properties of (1Z,3E,4Z)-3-ethylidene-1-methoxy-2-methylhexa-1,4-diene?
(1Z,3E,4Z)-3-ethylidene-1-methoxy-2-methylhexa-1,4-diene has a molecular weight of 152.24 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,4Z)-3-ethylidene-1-methoxy-2-methylhexa-1,4-diene is sourced from PubChem (CID 142869490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).