3-(methoxymethyl)-4-methylidene-5-propan-2-ylideneocta-2,6-diene

C14H22O — CID 123166526

IUPAC3-(methoxymethyl)-4-methylidene-5-propan-2-ylideneocta-2,6-diene
SMILESC=C(C(=CC)COC)C(C=CC)=C(C)C
InChIInChI=1S/C14H22O/c1-7-9-14(11(3)4)12(5)13(8-2)10-15-6/h7-9H,5,10H2,1-4,6H3
InChIKeyUINNJMNZJLEMFA-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.05
Rot. Bonds5

About 3-(methoxymethyl)-4-methylidene-5-propan-2-ylideneocta-2,6-diene

3-(methoxymethyl)-4-methylidene-5-propan-2-ylideneocta-2,6-diene (PubChem CID 123166526) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-(methoxymethyl)-4-methylidene-5-propan-2-ylideneocta-2,6-diene.

Molecular Properties

Compound Name3-(methoxymethyl)-4-methylidene-5-propan-2-ylideneocta-2,6-diene
PubChem CID123166526
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name3-(methoxymethyl)-4-methylidene-5-propan-2-ylideneocta-2,6-diene
SMILESC=C(C(=CC)COC)C(C=CC)=C(C)C
InChIInChI=1S/C14H22O/c1-7-9-14(11(3)4)12(5)13(8-2)10-15-6/h7-9H,5,10H2,1-4,6H3
InChIKeyUINNJMNZJLEMFA-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.05
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

(2E)-1-Methoxy-3,7-dimethyl-2,6-octadiene
CID 5365849
2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (2Z)-
CID 6436330
2H-Pyran, 3,6-dihydro-5-(4-methyl-3-pentenyl)-
CID 172806
Quinceoxepine
CID 131752304
Npc133097
CID 5365842
2,6-Octadiene, 3,7-dimethyl-1-(2-propenyloxy)-
CID 5362835
1-Methoxy-3,7-dimethyl-2,6-octadiene
CID 75724
(Methoxymethyl)cyclooctatetraene
CID 5370610
2,3,6,7-Tetrahydro-4-methyl-2-((1E)-3-methyl-1,3-butadien-1-yl)oxepin
CID 14805464
Methoxymethylcyclopentadien
CID 82952
1-Allyloxy-3,7-dimethyl-octa-2,6-diene
CID 534973
2-Methoxyethylcyclopentadiene
CID 10896855

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-4-methylidene-5-propan-2-ylideneocta-2,6-diene?
The IUPAC name of 3-(methoxymethyl)-4-methylidene-5-propan-2-ylideneocta-2,6-diene (CID 123166526) is 3-(methoxymethyl)-4-methylidene-5-propan-2-ylideneocta-2,6-diene.
What is the SMILES notation for 3-(methoxymethyl)-4-methylidene-5-propan-2-ylideneocta-2,6-diene?
The canonical SMILES for 3-(methoxymethyl)-4-methylidene-5-propan-2-ylideneocta-2,6-diene is C=C(C(=CC)COC)C(C=CC)=C(C)C.
What is the InChIKey of 3-(methoxymethyl)-4-methylidene-5-propan-2-ylideneocta-2,6-diene?
The InChIKey is UINNJMNZJLEMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-7-9-14(11(3)4)12(5)13(8-2)10-15-6/h7-9H,5,10H2,1-4,6H3.
What are the key properties of 3-(methoxymethyl)-4-methylidene-5-propan-2-ylideneocta-2,6-diene?
3-(methoxymethyl)-4-methylidene-5-propan-2-ylideneocta-2,6-diene has a molecular weight of 206.33 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-4-methylidene-5-propan-2-ylideneocta-2,6-diene is sourced from PubChem (CID 123166526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).