methyl 6-methyl-3-methylidenecyclohexene-1-carboxylate

C10H14O2 — CID 123495977

IUPACmethyl 6-methyl-3-methylidenecyclohexene-1-carboxylate
SMILESC=C1C=C(C(=O)OC)C(C)CC1
InChIInChI=1S/C10H14O2/c1-7-4-5-8(2)9(6-7)10(11)12-3/h6,8H,1,4-5H2,2-3H3
InChIKeyJEHJRQBAUMIXJR-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.07
Rot. Bonds1

About methyl 6-methyl-3-methylidenecyclohexene-1-carboxylate

methyl 6-methyl-3-methylidenecyclohexene-1-carboxylate (PubChem CID 123495977) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is methyl 6-methyl-3-methylidenecyclohexene-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-3-methylidenecyclohexene-1-carboxylate
PubChem CID123495977
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Namemethyl 6-methyl-3-methylidenecyclohexene-1-carboxylate
SMILESC=C1C=C(C(=O)OC)C(C)CC1
InChIInChI=1S/C10H14O2/c1-7-4-5-8(2)9(6-7)10(11)12-3/h6,8H,1,4-5H2,2-3H3
InChIKeyJEHJRQBAUMIXJR-UHFFFAOYSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-3-methylidenecyclohexene-1-carboxylate?
The IUPAC name of methyl 6-methyl-3-methylidenecyclohexene-1-carboxylate (CID 123495977) is methyl 6-methyl-3-methylidenecyclohexene-1-carboxylate.
What is the SMILES notation for methyl 6-methyl-3-methylidenecyclohexene-1-carboxylate?
The canonical SMILES for methyl 6-methyl-3-methylidenecyclohexene-1-carboxylate is C=C1C=C(C(=O)OC)C(C)CC1.
What is the InChIKey of methyl 6-methyl-3-methylidenecyclohexene-1-carboxylate?
The InChIKey is JEHJRQBAUMIXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-4-5-8(2)9(6-7)10(11)12-3/h6,8H,1,4-5H2,2-3H3.
What are the key properties of methyl 6-methyl-3-methylidenecyclohexene-1-carboxylate?
methyl 6-methyl-3-methylidenecyclohexene-1-carboxylate has a molecular weight of 166.22 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-3-methylidenecyclohexene-1-carboxylate is sourced from PubChem (CID 123495977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).