methyl (2S)-2-methyl-6-methylidenecyclohexane-1-carboxylate

C10H16O2 — CID 10899080

IUPACmethyl (2S)-2-methyl-6-methylidenecyclohexane-1-carboxylate
SMILESC=C1CCC[C@H](C)C1C(=O)OC
InChIInChI=1S/C10H16O2/c1-7-5-4-6-8(2)9(7)10(11)12-3/h8-9H,1,4-6H2,2-3H3/t8-,9?/m0/s1
InChIKeyBNXXICIRQQJAMO-IENPIDJESA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds1

About methyl (2S)-2-methyl-6-methylidenecyclohexane-1-carboxylate

methyl (2S)-2-methyl-6-methylidenecyclohexane-1-carboxylate (PubChem CID 10899080) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl (2S)-2-methyl-6-methylidenecyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-methyl-6-methylidenecyclohexane-1-carboxylate
PubChem CID10899080
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl (2S)-2-methyl-6-methylidenecyclohexane-1-carboxylate
SMILESC=C1CCC[C@H](C)C1C(=O)OC
InChIInChI=1S/C10H16O2/c1-7-5-4-6-8(2)9(7)10(11)12-3/h8-9H,1,4-6H2,2-3H3/t8-,9?/m0/s1
InChIKeyBNXXICIRQQJAMO-IENPIDJESA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-methyl-6-methylidenecyclohexane-1-carboxylate?
The IUPAC name of methyl (2S)-2-methyl-6-methylidenecyclohexane-1-carboxylate (CID 10899080) is methyl (2S)-2-methyl-6-methylidenecyclohexane-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-methyl-6-methylidenecyclohexane-1-carboxylate?
The canonical SMILES for methyl (2S)-2-methyl-6-methylidenecyclohexane-1-carboxylate is C=C1CCC[C@H](C)C1C(=O)OC.
What is the InChIKey of methyl (2S)-2-methyl-6-methylidenecyclohexane-1-carboxylate?
The InChIKey is BNXXICIRQQJAMO-IENPIDJESA-N. The full InChI is InChI=1S/C10H16O2/c1-7-5-4-6-8(2)9(7)10(11)12-3/h8-9H,1,4-6H2,2-3H3/t8-,9?/m0/s1.
What are the key properties of methyl (2S)-2-methyl-6-methylidenecyclohexane-1-carboxylate?
methyl (2S)-2-methyl-6-methylidenecyclohexane-1-carboxylate has a molecular weight of 168.24 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-methyl-6-methylidenecyclohexane-1-carboxylate is sourced from PubChem (CID 10899080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).