cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane

C11H18O — CID 71351505

IUPACcis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane
SMILESC=C(C)[C@@H]1CCC(=C)[C@@H](OC)C1
InChIInChI=1S/C11H18O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h10-11H,1,3,5-7H2,2,4H3/t10-,11+/m1/s1
InChIKeyBBBJVUGHPCCGOB-MNOVXSKESA-N
MW166.26 g/mol
LogP2.93
Rot. Bonds2

About cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane

cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane (PubChem CID 71351505) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Namecis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane
PubChem CID71351505
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Namecis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane
SMILESC=C(C)[C@@H]1CCC(=C)[C@@H](OC)C1
InChIInChI=1S/C11H18O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h10-11H,1,3,5-7H2,2,4H3/t10-,11+/m1/s1
InChIKeyBBBJVUGHPCCGOB-MNOVXSKESA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane?
The IUPAC name of cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane (CID 71351505) is cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane?
The canonical SMILES for cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane is C=C(C)[C@@H]1CCC(=C)[C@@H](OC)C1.
What is the InChIKey of cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane?
The InChIKey is BBBJVUGHPCCGOB-MNOVXSKESA-N. The full InChI is InChI=1S/C11H18O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h10-11H,1,3,5-7H2,2,4H3/t10-,11+/m1/s1.
What are the key properties of cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane?
cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane has a molecular weight of 166.26 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 71351505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).