cis-(1R,2R)-1-ethyl-2-methyl-3-methylidenecyclohexane

C10H18 — CID 148895610

IUPACcis-(1R,2R)-1-ethyl-2-methyl-3-methylidenecyclohexane
SMILESC=C1CCC[C@@H](CC)[C@H]1C
InChIInChI=1S/C10H18/c1-4-10-7-5-6-8(2)9(10)3/h9-10H,2,4-7H2,1,3H3/t9-,10+/m0/s1
InChIKeyPFULXXAUUNVEEG-VHSXEESVSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds1

About cis-(1R,2R)-1-ethyl-2-methyl-3-methylidenecyclohexane

cis-(1R,2R)-1-ethyl-2-methyl-3-methylidenecyclohexane (PubChem CID 148895610) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is cis-(1R,2R)-1-ethyl-2-methyl-3-methylidenecyclohexane.

Molecular Properties

Compound Namecis-(1R,2R)-1-ethyl-2-methyl-3-methylidenecyclohexane
PubChem CID148895610
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Namecis-(1R,2R)-1-ethyl-2-methyl-3-methylidenecyclohexane
SMILESC=C1CCC[C@@H](CC)[C@H]1C
InChIInChI=1S/C10H18/c1-4-10-7-5-6-8(2)9(10)3/h9-10H,2,4-7H2,1,3H3/t9-,10+/m0/s1
InChIKeyPFULXXAUUNVEEG-VHSXEESVSA-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 cis-(1R,2R)-1-ethyl-2-methyl-3-methylidenecyclohexane?
The IUPAC name of cis-(1R,2R)-1-ethyl-2-methyl-3-methylidenecyclohexane (CID 148895610) is cis-(1R,2R)-1-ethyl-2-methyl-3-methylidenecyclohexane.
What is the SMILES notation for cis-(1R,2R)-1-ethyl-2-methyl-3-methylidenecyclohexane?
The canonical SMILES for cis-(1R,2R)-1-ethyl-2-methyl-3-methylidenecyclohexane is C=C1CCC[C@@H](CC)[C@H]1C.
What is the InChIKey of cis-(1R,2R)-1-ethyl-2-methyl-3-methylidenecyclohexane?
The InChIKey is PFULXXAUUNVEEG-VHSXEESVSA-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/t9-,10+/m0/s1.
What are the key properties of cis-(1R,2R)-1-ethyl-2-methyl-3-methylidenecyclohexane?
cis-(1R,2R)-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 cis-(1R,2R)-1-ethyl-2-methyl-3-methylidenecyclohexane is sourced from PubChem (CID 148895610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).