trans-(1R,4R)-1-methyl-2-methylidene-4-prop-1-en-2-ylcyclohexane

C11H18 — CID 45266815

IUPACtrans-(1R,4R)-1-methyl-2-methylidene-4-prop-1-en-2-ylcyclohexane
SMILESC=C(C)[C@@H]1CC[C@@H](C)C(=C)C1
InChIInChI=1S/C11H18/c1-8(2)11-6-5-9(3)10(4)7-11/h9,11H,1,4-7H2,2-3H3/t9-,11-/m1/s1
InChIKeyGDQMVMFTWPZPJD-MWLCHTKSSA-N
MW150.26 g/mol
LogP3.55
Rot. Bonds1

About trans-(1R,4R)-1-methyl-2-methylidene-4-prop-1-en-2-ylcyclohexane

trans-(1R,4R)-1-methyl-2-methylidene-4-prop-1-en-2-ylcyclohexane (PubChem CID 45266815) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is trans-(1R,4R)-1-methyl-2-methylidene-4-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Nametrans-(1R,4R)-1-methyl-2-methylidene-4-prop-1-en-2-ylcyclohexane
PubChem CID45266815
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Nametrans-(1R,4R)-1-methyl-2-methylidene-4-prop-1-en-2-ylcyclohexane
SMILESC=C(C)[C@@H]1CC[C@@H](C)C(=C)C1
InChIInChI=1S/C11H18/c1-8(2)11-6-5-9(3)10(4)7-11/h9,11H,1,4-7H2,2-3H3/t9-,11-/m1/s1
InChIKeyGDQMVMFTWPZPJD-MWLCHTKSSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.55
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 trans-(1R,4R)-1-methyl-2-methylidene-4-prop-1-en-2-ylcyclohexane?
The IUPAC name of trans-(1R,4R)-1-methyl-2-methylidene-4-prop-1-en-2-ylcyclohexane (CID 45266815) is trans-(1R,4R)-1-methyl-2-methylidene-4-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for trans-(1R,4R)-1-methyl-2-methylidene-4-prop-1-en-2-ylcyclohexane?
The canonical SMILES for trans-(1R,4R)-1-methyl-2-methylidene-4-prop-1-en-2-ylcyclohexane is C=C(C)[C@@H]1CC[C@@H](C)C(=C)C1.
What is the InChIKey of trans-(1R,4R)-1-methyl-2-methylidene-4-prop-1-en-2-ylcyclohexane?
The InChIKey is GDQMVMFTWPZPJD-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H18/c1-8(2)11-6-5-9(3)10(4)7-11/h9,11H,1,4-7H2,2-3H3/t9-,11-/m1/s1.
What are the key properties of trans-(1R,4R)-1-methyl-2-methylidene-4-prop-1-en-2-ylcyclohexane?
trans-(1R,4R)-1-methyl-2-methylidene-4-prop-1-en-2-ylcyclohexane has a molecular weight of 150.26 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,4R)-1-methyl-2-methylidene-4-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 45266815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).