2-[3,3-bis(ethoxymethyl)cyclobutylidene]ethylidenecyclohexane

C18H30O2 — CID 102492311

IUPAC2-[3,3-bis(ethoxymethyl)cyclobutylidene]ethylidenecyclohexane
SMILESCCOCC1(COCC)CC(=CC=C2CCCCC2)C1
InChIInChI=1S/C18H30O2/c1-3-19-14-18(15-20-4-2)12-17(13-18)11-10-16-8-6-5-7-9-16/h10-11H,3-9,12-15H2,1-2H3
InChIKeySHSLSCURNBFCLS-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.66
Rot. Bonds7

About 2-[3,3-bis(ethoxymethyl)cyclobutylidene]ethylidenecyclohexane

2-[3,3-bis(ethoxymethyl)cyclobutylidene]ethylidenecyclohexane (PubChem CID 102492311) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[3,3-bis(ethoxymethyl)cyclobutylidene]ethylidenecyclohexane.

Molecular Properties

Compound Name2-[3,3-bis(ethoxymethyl)cyclobutylidene]ethylidenecyclohexane
PubChem CID102492311
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name2-[3,3-bis(ethoxymethyl)cyclobutylidene]ethylidenecyclohexane
SMILESCCOCC1(COCC)CC(=CC=C2CCCCC2)C1
InChIInChI=1S/C18H30O2/c1-3-19-14-18(15-20-4-2)12-17(13-18)11-10-16-8-6-5-7-9-16/h10-11H,3-9,12-15H2,1-2H3
InChIKeySHSLSCURNBFCLS-UHFFFAOYSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Bis(methoxymethyl)-1,3-dimethyl-2-prop-1-en-2-ylcyclohexa-1,3-diene
CID 102149759
1-[[3,3-Bis(ethoxymethyl)cyclobutylidene]methyl]cyclopentene
CID 101542127
1-[[3,3-Bis(ethoxymethyl)cyclobutylidene]methyl]cyclohexene
CID 101542128
1,1-Bis(ethoxymethyl)-3-(3-methylbut-3-en-2-ylidene)cyclobutane
CID 101542133
1,1-Bis(ethoxymethyl)-3-(2-methylprop-2-enylidene)cyclobutane
CID 101536423
1,1-Bis(ethoxymethyl)-3-prop-2-enylidenecyclobutane
CID 102492310

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-bis(ethoxymethyl)cyclobutylidene]ethylidenecyclohexane?
The IUPAC name of 2-[3,3-bis(ethoxymethyl)cyclobutylidene]ethylidenecyclohexane (CID 102492311) is 2-[3,3-bis(ethoxymethyl)cyclobutylidene]ethylidenecyclohexane.
What is the SMILES notation for 2-[3,3-bis(ethoxymethyl)cyclobutylidene]ethylidenecyclohexane?
The canonical SMILES for 2-[3,3-bis(ethoxymethyl)cyclobutylidene]ethylidenecyclohexane is CCOCC1(COCC)CC(=CC=C2CCCCC2)C1.
What is the InChIKey of 2-[3,3-bis(ethoxymethyl)cyclobutylidene]ethylidenecyclohexane?
The InChIKey is SHSLSCURNBFCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-3-19-14-18(15-20-4-2)12-17(13-18)11-10-16-8-6-5-7-9-16/h10-11H,3-9,12-15H2,1-2H3.
What are the key properties of 2-[3,3-bis(ethoxymethyl)cyclobutylidene]ethylidenecyclohexane?
2-[3,3-bis(ethoxymethyl)cyclobutylidene]ethylidenecyclohexane has a molecular weight of 278.44 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-bis(ethoxymethyl)cyclobutylidene]ethylidenecyclohexane is sourced from PubChem (CID 102492311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).