1-[3-methoxy-2-(methoxymethyl)-3-methylcyclobuten-1-yl]cyclohexene

C14H22O2 — CID 102462218

IUPAC1-[3-methoxy-2-(methoxymethyl)-3-methylcyclobuten-1-yl]cyclohexene
SMILESCOCC1=C(C2=CCCCC2)CC1(C)OC
InChIInChI=1S/C14H22O2/c1-14(16-3)9-12(13(14)10-15-2)11-7-5-4-6-8-11/h7H,4-6,8-10H2,1-3H3
InChIKeyXLLHKSFMSLTGOS-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.24
Rot. Bonds4

About 1-[3-methoxy-2-(methoxymethyl)-3-methylcyclobuten-1-yl]cyclohexene

1-[3-methoxy-2-(methoxymethyl)-3-methylcyclobuten-1-yl]cyclohexene (PubChem CID 102462218) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[3-methoxy-2-(methoxymethyl)-3-methylcyclobuten-1-yl]cyclohexene.

Molecular Properties

Compound Name1-[3-methoxy-2-(methoxymethyl)-3-methylcyclobuten-1-yl]cyclohexene
PubChem CID102462218
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-[3-methoxy-2-(methoxymethyl)-3-methylcyclobuten-1-yl]cyclohexene
SMILESCOCC1=C(C2=CCCCC2)CC1(C)OC
InChIInChI=1S/C14H22O2/c1-14(16-3)9-12(13(14)10-15-2)11-7-5-4-6-8-11/h7H,4-6,8-10H2,1-3H3
InChIKeyXLLHKSFMSLTGOS-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,5-Trimethoxy-5-methyl-2-[(1r,6r)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]benzene
CID 129858259
Carbon monoxide;[[2-(cyclopenten-1-yl)-4-methoxy-4-methylcyclobuten-1-yl]-methoxymethylidene]chromium
CID 134884591
(1R,6R)-1-ethoxy-8-(methoxymethyl)bicyclo[4.2.2]deca-7,9-diene
CID 134993531
(1R,6R)-1-methoxy-8-(methoxymethyl)bicyclo[4.2.2]deca-7,9-diene
CID 134993778
5-Ethoxy-1,6-dimethyl-4-(3-methylpentyl)cyclohexa-1,3-diene
CID 59229420
5-Ethoxy-1,6-dimethyl-4-(3-methylpentyl)cyclohexa-1,3-diene
CID 59229421
1,2-bis(methoxymethyl)-4,7-dimethyl-4,5,6,7-tetrahydro-1H-indene
CID 68277998
1,4,5-Triethyl-5,6-dimethoxycyclohexa-1,3-diene
CID 68455098
2,6-Dimethyl-2-methoxy-9-isopropylphenylnonane
CID 70498408
1,2-bis(methoxymethyl)-4,5,6,7-tetrahydro-1H-indene
CID 70873349
(2Z)-2-[(E)-hex-2-enylidene]-6-oxaspiro[4.5]dec-3-ene
CID 87553758
5-(Cyclobuten-1-yl)-5-ethoxycyclohexa-1,3-diene
CID 88834503

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(methoxymethyl)-3-methylcyclobuten-1-yl]cyclohexene?
The IUPAC name of 1-[3-methoxy-2-(methoxymethyl)-3-methylcyclobuten-1-yl]cyclohexene (CID 102462218) is 1-[3-methoxy-2-(methoxymethyl)-3-methylcyclobuten-1-yl]cyclohexene.
What is the SMILES notation for 1-[3-methoxy-2-(methoxymethyl)-3-methylcyclobuten-1-yl]cyclohexene?
The canonical SMILES for 1-[3-methoxy-2-(methoxymethyl)-3-methylcyclobuten-1-yl]cyclohexene is COCC1=C(C2=CCCCC2)CC1(C)OC.
What is the InChIKey of 1-[3-methoxy-2-(methoxymethyl)-3-methylcyclobuten-1-yl]cyclohexene?
The InChIKey is XLLHKSFMSLTGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-14(16-3)9-12(13(14)10-15-2)11-7-5-4-6-8-11/h7H,4-6,8-10H2,1-3H3.
What are the key properties of 1-[3-methoxy-2-(methoxymethyl)-3-methylcyclobuten-1-yl]cyclohexene?
1-[3-methoxy-2-(methoxymethyl)-3-methylcyclobuten-1-yl]cyclohexene has a molecular weight of 222.33 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(methoxymethyl)-3-methylcyclobuten-1-yl]cyclohexene is sourced from PubChem (CID 102462218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).