(1S)-1-tert-butyl-3-methylidenecyclohexane

C11H20 — CID 161355600

IUPAC(1S)-1-tert-butyl-3-methylidenecyclohexane
SMILESC=C1CCC[C@H](C(C)(C)C)C1
InChIInChI=1S/C11H20/c1-9-6-5-7-10(8-9)11(2,3)4/h10H,1,5-8H2,2-4H3/t10-/m0/s1
InChIKeyQFYUCAKDXKGDEP-JTQLQIEISA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds

About (1S)-1-tert-butyl-3-methylidenecyclohexane

(1S)-1-tert-butyl-3-methylidenecyclohexane (PubChem CID 161355600) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (1S)-1-tert-butyl-3-methylidenecyclohexane.

Molecular Properties

Compound Name(1S)-1-tert-butyl-3-methylidenecyclohexane
PubChem CID161355600
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(1S)-1-tert-butyl-3-methylidenecyclohexane
SMILESC=C1CCC[C@H](C(C)(C)C)C1
InChIInChI=1S/C11H20/c1-9-6-5-7-10(8-9)11(2,3)4/h10H,1,5-8H2,2-4H3/t10-/m0/s1
InChIKeyQFYUCAKDXKGDEP-JTQLQIEISA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 174062067
CID 174062067
5-tert-butyl-2-methylidenecyclohexan-1-one;ethene
CID 170948504
3-methylidenecyclohexan-1-amine
CID 67574918
1-chloro-3-methylidenecyclohexane
CID 23528892
3-methylidenecyclohexan-1-ol
CID 13244819
tert-butylcyclopentadecane
CID 164774831
1,4-ditert-butylcycloheptane
CID 58579546
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
1-ethenyl-3-methylidenecyclohexane
CID 146681743
1-ethylsulfanyl-3-methylidenecyclohexane
CID 86130259
(3-methylidenecyclohexyl)methyl 2,2-dimethylpropanoate
CID 89147948
[(1S)-3-methylidenecyclohexyl]methanamine
CID 101199300

Frequently Asked Questions

What is the IUPAC name of (1S)-1-tert-butyl-3-methylidenecyclohexane?
The IUPAC name of (1S)-1-tert-butyl-3-methylidenecyclohexane (CID 161355600) is (1S)-1-tert-butyl-3-methylidenecyclohexane.
What is the SMILES notation for (1S)-1-tert-butyl-3-methylidenecyclohexane?
The canonical SMILES for (1S)-1-tert-butyl-3-methylidenecyclohexane is C=C1CCC[C@H](C(C)(C)C)C1.
What is the InChIKey of (1S)-1-tert-butyl-3-methylidenecyclohexane?
The InChIKey is QFYUCAKDXKGDEP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20/c1-9-6-5-7-10(8-9)11(2,3)4/h10H,1,5-8H2,2-4H3/t10-/m0/s1.
What are the key properties of (1S)-1-tert-butyl-3-methylidenecyclohexane?
(1S)-1-tert-butyl-3-methylidenecyclohexane has a molecular weight of 152.28 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-tert-butyl-3-methylidenecyclohexane is sourced from PubChem (CID 161355600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).