6-methyl-2-[(2-methylcyclohexyl)methyl]-3,8-dioxatricyclo[5.1.0.02,4]oct-1(7)-ene

C15H22O2 — CID 87705082

IUPAC6-methyl-2-[(2-methylcyclohexyl)methyl]-3,8-dioxatricyclo[5.1.0.02,4]oct-1(7)-ene
SMILESCC1CC2OC2(CC2CCCCC2C)C2=C1O2
InChIInChI=1S/C15H22O2/c1-9-5-3-4-6-11(9)8-15-12(17-15)7-10(2)13-14(15)16-13/h9-12H,3-8H2,1-2H3
InChIKeyXEMVSSARFFYBTA-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.62
Rot. Bonds2

About 6-methyl-2-[(2-methylcyclohexyl)methyl]-3,8-dioxatricyclo[5.1.0.02,4]oct-1(7)-ene

6-methyl-2-[(2-methylcyclohexyl)methyl]-3,8-dioxatricyclo[5.1.0.02,4]oct-1(7)-ene (PubChem CID 87705082) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 6-methyl-2-[(2-methylcyclohexyl)methyl]-3,8-dioxatricyclo[5.1.0.02,4]oct-1(7)-ene.

Molecular Properties

Compound Name6-methyl-2-[(2-methylcyclohexyl)methyl]-3,8-dioxatricyclo[5.1.0.02,4]oct-1(7)-ene
PubChem CID87705082
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name6-methyl-2-[(2-methylcyclohexyl)methyl]-3,8-dioxatricyclo[5.1.0.02,4]oct-1(7)-ene
SMILESCC1CC2OC2(CC2CCCCC2C)C2=C1O2
InChIInChI=1S/C15H22O2/c1-9-5-3-4-6-11(9)8-15-12(17-15)7-10(2)13-14(15)16-13/h9-12H,3-8H2,1-2H3
InChIKeyXEMVSSARFFYBTA-UHFFFAOYSA-N
XLogP3.62
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 6-methyl-2-[(2-methylcyclohexyl)methyl]-3,8-dioxatricyclo[5.1.0.02,4]oct-1(7)-ene with MolForge

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Related Compounds

cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
3-methyl-4-[(2-methylcyclohexyl)methyl]-7,8-dioxatricyclo[4.1.1.01,6]octane
CID 87499761
(2-methylcyclodecyl)methanamine
CID 163635360
ethane;trans-(1S,2R)-1-ethyl-2-methylcyclohexane
CID 143479638
cis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane
CID 124509523
1-methyl-2-prop-2-enylcyclohexane
CID 15643404
1-methyl-2-[(2-methylcyclopentyl)methyl]cyclopentane
CID 148598305
2-(2-methylcyclopentyl)ethylcyclohexane
CID 134865391
1,2,16-triethyl-15-methylcyclopentatriacontane
CID 123855410
N-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine
CID 80701390
1-[(E)-but-2-enyl]-2-methylcyclohexane;ethane
CID 143661661
1-(chloromethyl)-2-methylcyclopentane
CID 13459403

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2-methylcyclohexyl)methyl]-3,8-dioxatricyclo[5.1.0.02,4]oct-1(7)-ene?
The IUPAC name of 6-methyl-2-[(2-methylcyclohexyl)methyl]-3,8-dioxatricyclo[5.1.0.02,4]oct-1(7)-ene (CID 87705082) is 6-methyl-2-[(2-methylcyclohexyl)methyl]-3,8-dioxatricyclo[5.1.0.02,4]oct-1(7)-ene.
What is the SMILES notation for 6-methyl-2-[(2-methylcyclohexyl)methyl]-3,8-dioxatricyclo[5.1.0.02,4]oct-1(7)-ene?
The canonical SMILES for 6-methyl-2-[(2-methylcyclohexyl)methyl]-3,8-dioxatricyclo[5.1.0.02,4]oct-1(7)-ene is CC1CC2OC2(CC2CCCCC2C)C2=C1O2.
What is the InChIKey of 6-methyl-2-[(2-methylcyclohexyl)methyl]-3,8-dioxatricyclo[5.1.0.02,4]oct-1(7)-ene?
The InChIKey is XEMVSSARFFYBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-9-5-3-4-6-11(9)8-15-12(17-15)7-10(2)13-14(15)16-13/h9-12H,3-8H2,1-2H3.
What are the key properties of 6-methyl-2-[(2-methylcyclohexyl)methyl]-3,8-dioxatricyclo[5.1.0.02,4]oct-1(7)-ene?
6-methyl-2-[(2-methylcyclohexyl)methyl]-3,8-dioxatricyclo[5.1.0.02,4]oct-1(7)-ene has a molecular weight of 234.34 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2-methylcyclohexyl)methyl]-3,8-dioxatricyclo[5.1.0.02,4]oct-1(7)-ene is sourced from PubChem (CID 87705082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).