(2E,4Z)-2-methoxy-5-methyl-3-propan-2-ylhepta-2,4-diene

C12H22O — CID 143103707

IUPAC(2E,4Z)-2-methoxy-5-methyl-3-propan-2-ylhepta-2,4-diene
SMILESCC/C(C)=C\C(=C(/C)OC)C(C)C
InChIInChI=1S/C12H22O/c1-7-10(4)8-12(9(2)3)11(5)13-6/h8-9H,7H2,1-6H3/b10-8-,12-11-
InChIKeyHSPBCKCMLDJQCT-SIBMFBDYSA-N
MW182.31 g/mol
LogP3.92
Rot. Bonds4

About (2E,4Z)-2-methoxy-5-methyl-3-propan-2-ylhepta-2,4-diene

(2E,4Z)-2-methoxy-5-methyl-3-propan-2-ylhepta-2,4-diene (PubChem CID 143103707) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (2E,4Z)-2-methoxy-5-methyl-3-propan-2-ylhepta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-2-methoxy-5-methyl-3-propan-2-ylhepta-2,4-diene
PubChem CID143103707
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(2E,4Z)-2-methoxy-5-methyl-3-propan-2-ylhepta-2,4-diene
SMILESCC/C(C)=C\C(=C(/C)OC)C(C)C
InChIInChI=1S/C12H22O/c1-7-10(4)8-12(9(2)3)11(5)13-6/h8-9H,7H2,1-6H3/b10-8-,12-11-
InChIKeyHSPBCKCMLDJQCT-SIBMFBDYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.92
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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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-methoxy-5-methyl-3-propan-2-ylhepta-2,4-diene?
The IUPAC name of (2E,4Z)-2-methoxy-5-methyl-3-propan-2-ylhepta-2,4-diene (CID 143103707) is (2E,4Z)-2-methoxy-5-methyl-3-propan-2-ylhepta-2,4-diene.
What is the SMILES notation for (2E,4Z)-2-methoxy-5-methyl-3-propan-2-ylhepta-2,4-diene?
The canonical SMILES for (2E,4Z)-2-methoxy-5-methyl-3-propan-2-ylhepta-2,4-diene is CC/C(C)=C\C(=C(/C)OC)C(C)C.
What is the InChIKey of (2E,4Z)-2-methoxy-5-methyl-3-propan-2-ylhepta-2,4-diene?
The InChIKey is HSPBCKCMLDJQCT-SIBMFBDYSA-N. The full InChI is InChI=1S/C12H22O/c1-7-10(4)8-12(9(2)3)11(5)13-6/h8-9H,7H2,1-6H3/b10-8-,12-11-.
What are the key properties of (2E,4Z)-2-methoxy-5-methyl-3-propan-2-ylhepta-2,4-diene?
(2E,4Z)-2-methoxy-5-methyl-3-propan-2-ylhepta-2,4-diene has a molecular weight of 182.31 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-methoxy-5-methyl-3-propan-2-ylhepta-2,4-diene is sourced from PubChem (CID 143103707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).