1-(dimethoxymethyl)-2-(3-methylbuta-1,2-dienyl)cyclohexene

C14H22O2 — CID 71475934

IUPAC1-(dimethoxymethyl)-2-(3-methylbuta-1,2-dienyl)cyclohexene
SMILESCOC(OC)C1=C(C=C=C(C)C)CCCC1
InChIInChI=1S/C14H22O2/c1-11(2)9-10-12-7-5-6-8-13(12)14(15-3)16-4/h10,14H,5-8H2,1-4H3
InChIKeyBRZKNKORSDSCGN-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.60
Rot. Bonds4

About 1-(dimethoxymethyl)-2-(3-methylbuta-1,2-dienyl)cyclohexene

1-(dimethoxymethyl)-2-(3-methylbuta-1,2-dienyl)cyclohexene (PubChem CID 71475934) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(dimethoxymethyl)-2-(3-methylbuta-1,2-dienyl)cyclohexene.

Molecular Properties

Compound Name1-(dimethoxymethyl)-2-(3-methylbuta-1,2-dienyl)cyclohexene
PubChem CID71475934
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(dimethoxymethyl)-2-(3-methylbuta-1,2-dienyl)cyclohexene
SMILESCOC(OC)C1=C(C=C=C(C)C)CCCC1
InChIInChI=1S/C14H22O2/c1-11(2)9-10-12-7-5-6-8-13(12)14(15-3)16-4/h10,14H,5-8H2,1-4H3
InChIKeyBRZKNKORSDSCGN-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-Bis[(3,7-dimethyl-2,6-octadien-1-yl)oxy]nonane
CID 105592
Nonane, 1,1-bis[(3,7-dimethyl-2,6-octadien-1-yl)oxy]-
CID 6437124
Methoxy-t-butylperoxycyclohexenylmethane
CID 129817109
1-{[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]oxy}-1-methoxydecane
CID 6366290
(Z)-1-((3,7-Dimethyl-2,6-octadienyl)oxy)-1-methoxydecane
CID 20836278
1-(1-Methoxymethoxyethyl)cyclohexene
CID 542494
1-(Diethoxymethyl)cyclohex-1-ene
CID 12540973
1-Tert-butyl-4-(dimethoxymethyl)-5-methylidenecyclohexa-1,3-diene
CID 23195086
2-(4-But-2-en-2-ylcyclohexa-1,3-dien-1-yl)-1,3-dioxane
CID 123354193
1,1-Dimethoxy-4,5,6,7-tetrahydroindene
CID 150149680
1-(3,7-Dimethylocta-2,6-dienoxy)-1-methoxydecane
CID 3022842
2,5-Dimethoxy-3-(6-methylhept-5-enyl)-2,5-dihydrofuran
CID 10514206

Frequently Asked Questions

What is the IUPAC name of 1-(dimethoxymethyl)-2-(3-methylbuta-1,2-dienyl)cyclohexene?
The IUPAC name of 1-(dimethoxymethyl)-2-(3-methylbuta-1,2-dienyl)cyclohexene (CID 71475934) is 1-(dimethoxymethyl)-2-(3-methylbuta-1,2-dienyl)cyclohexene.
What is the SMILES notation for 1-(dimethoxymethyl)-2-(3-methylbuta-1,2-dienyl)cyclohexene?
The canonical SMILES for 1-(dimethoxymethyl)-2-(3-methylbuta-1,2-dienyl)cyclohexene is COC(OC)C1=C(C=C=C(C)C)CCCC1.
What is the InChIKey of 1-(dimethoxymethyl)-2-(3-methylbuta-1,2-dienyl)cyclohexene?
The InChIKey is BRZKNKORSDSCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(2)9-10-12-7-5-6-8-13(12)14(15-3)16-4/h10,14H,5-8H2,1-4H3.
What are the key properties of 1-(dimethoxymethyl)-2-(3-methylbuta-1,2-dienyl)cyclohexene?
1-(dimethoxymethyl)-2-(3-methylbuta-1,2-dienyl)cyclohexene has a molecular weight of 222.33 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethoxymethyl)-2-(3-methylbuta-1,2-dienyl)cyclohexene is sourced from PubChem (CID 71475934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).