1-ethyl-2-methyl-3-methylidenecyclohexane

C10H18 — CID 123889355

IUPAC1-ethyl-2-methyl-3-methylidenecyclohexane
SMILESC=C1CCCC(CC)C1C
InChIInChI=1S/C10H18/c1-4-10-7-5-6-8(2)9(10)3/h9-10H,2,4-7H2,1,3H3
InChIKeyPFULXXAUUNVEEG-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds1

About 1-ethyl-2-methyl-3-methylidenecyclohexane

1-ethyl-2-methyl-3-methylidenecyclohexane (PubChem CID 123889355) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-ethyl-2-methyl-3-methylidenecyclohexane.

Molecular Properties

Compound Name1-ethyl-2-methyl-3-methylidenecyclohexane
PubChem CID123889355
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-ethyl-2-methyl-3-methylidenecyclohexane
SMILESC=C1CCCC(CC)C1C
InChIInChI=1S/C10H18/c1-4-10-7-5-6-8(2)9(10)3/h9-10H,2,4-7H2,1,3H3
InChIKeyPFULXXAUUNVEEG-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1-ethyl-2-methyl-3-methylidenecyclohexane?
The IUPAC name of 1-ethyl-2-methyl-3-methylidenecyclohexane (CID 123889355) is 1-ethyl-2-methyl-3-methylidenecyclohexane.
What is the SMILES notation for 1-ethyl-2-methyl-3-methylidenecyclohexane?
The canonical SMILES for 1-ethyl-2-methyl-3-methylidenecyclohexane is C=C1CCCC(CC)C1C.
What is the InChIKey of 1-ethyl-2-methyl-3-methylidenecyclohexane?
The InChIKey is PFULXXAUUNVEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-10-7-5-6-8(2)9(10)3/h9-10H,2,4-7H2,1,3H3.
What are the key properties of 1-ethyl-2-methyl-3-methylidenecyclohexane?
1-ethyl-2-methyl-3-methylidenecyclohexane has a molecular weight of 138.25 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-3-methylidenecyclohexane is sourced from PubChem (CID 123889355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).