trans-(1R,5S)-5-tert-butyl-1-methoxy-1-methyl-2-methylidenecyclohexane

C13H24O — CID 10607960

IUPACtrans-(1R,5S)-5-tert-butyl-1-methoxy-1-methyl-2-methylidenecyclohexane
SMILESC=C1CC[C@H](C(C)(C)C)C[C@@]1(C)OC
InChIInChI=1S/C13H24O/c1-10-7-8-11(12(2,3)4)9-13(10,5)14-6/h11H,1,7-9H2,2-6H3/t11-,13+/m0/s1
InChIKeyXGKAYBANFXCTBU-WCQYABFASA-N
MW196.33 g/mol
LogP3.79
Rot. Bonds1

About trans-(1R,5S)-5-tert-butyl-1-methoxy-1-methyl-2-methylidenecyclohexane

trans-(1R,5S)-5-tert-butyl-1-methoxy-1-methyl-2-methylidenecyclohexane (PubChem CID 10607960) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is trans-(1R,5S)-5-tert-butyl-1-methoxy-1-methyl-2-methylidenecyclohexane.

Molecular Properties

Compound Nametrans-(1R,5S)-5-tert-butyl-1-methoxy-1-methyl-2-methylidenecyclohexane
PubChem CID10607960
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Nametrans-(1R,5S)-5-tert-butyl-1-methoxy-1-methyl-2-methylidenecyclohexane
SMILESC=C1CC[C@H](C(C)(C)C)C[C@@]1(C)OC
InChIInChI=1S/C13H24O/c1-10-7-8-11(12(2,3)4)9-13(10,5)14-6/h11H,1,7-9H2,2-6H3/t11-,13+/m0/s1
InChIKeyXGKAYBANFXCTBU-WCQYABFASA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Matatabiether
CID 5319300
(3R,5S)-4,4,5-trimethyl-8-methylidene-1-oxaspiro[2.5]octane
CID 57221138
1-Ethenyl-3,3,5-trimethyl-1-prop-2-enoxycyclohexane
CID 89213606
Cyclohexane,1-(1,1-dimethylethyl)-3-methoxy-4-methylene-cis-
CID 144288
5,5-Dimethyl-4-methylidene-1-oxaspiro[2.5]octane
CID 15006651
2-Ethenoxy-1-methylidene-4-propan-2-ylcyclohexane
CID 89482539
(4R)-2-ethenoxy-1-methylidene-4-propan-2-ylcyclohexane
CID 89491192
(4S)-2-ethenoxy-1-methylidene-4-propan-2-ylcyclohexane
CID 89491216
1-Ethoxy-2-methylidene-3-propan-2-ylcyclohexane
CID 123488013
1-Methoxy-2-methylidene-3-propan-2-ylcyclohexane
CID 123754226
(1R,2S,4R)-4-(2-methoxypropan-2-yl)-1-methyl-1,2-bis(prop-1-en-2-yl)cyclohexane
CID 138732643
2,6,6,7-Tetramethyl-10-methylidene-1-oxaspiro[4.5]decane
CID 154173726

Frequently Asked Questions

What is the IUPAC name of trans-(1R,5S)-5-tert-butyl-1-methoxy-1-methyl-2-methylidenecyclohexane?
The IUPAC name of trans-(1R,5S)-5-tert-butyl-1-methoxy-1-methyl-2-methylidenecyclohexane (CID 10607960) is trans-(1R,5S)-5-tert-butyl-1-methoxy-1-methyl-2-methylidenecyclohexane.
What is the SMILES notation for trans-(1R,5S)-5-tert-butyl-1-methoxy-1-methyl-2-methylidenecyclohexane?
The canonical SMILES for trans-(1R,5S)-5-tert-butyl-1-methoxy-1-methyl-2-methylidenecyclohexane is C=C1CC[C@H](C(C)(C)C)C[C@@]1(C)OC.
What is the InChIKey of trans-(1R,5S)-5-tert-butyl-1-methoxy-1-methyl-2-methylidenecyclohexane?
The InChIKey is XGKAYBANFXCTBU-WCQYABFASA-N. The full InChI is InChI=1S/C13H24O/c1-10-7-8-11(12(2,3)4)9-13(10,5)14-6/h11H,1,7-9H2,2-6H3/t11-,13+/m0/s1.
What are the key properties of trans-(1R,5S)-5-tert-butyl-1-methoxy-1-methyl-2-methylidenecyclohexane?
trans-(1R,5S)-5-tert-butyl-1-methoxy-1-methyl-2-methylidenecyclohexane has a molecular weight of 196.33 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,5S)-5-tert-butyl-1-methoxy-1-methyl-2-methylidenecyclohexane is sourced from PubChem (CID 10607960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).