1-tert-butylbicyclo[4.1.0]heptane

C11H20 — CID 13029060

IUPAC1-tert-butylbicyclo[4.1.0]heptane
SMILESCC(C)(C)C12CCCCC1C2
InChIInChI=1S/C11H20/c1-10(2,3)11-7-5-4-6-9(11)8-11/h9H,4-8H2,1-3H3
InChIKeyNBPUXTMALOUGLC-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.61
Rot. Bonds

About 1-tert-butylbicyclo[4.1.0]heptane

1-tert-butylbicyclo[4.1.0]heptane (PubChem CID 13029060) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-tert-butylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-tert-butylbicyclo[4.1.0]heptane
PubChem CID13029060
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-tert-butylbicyclo[4.1.0]heptane
SMILESCC(C)(C)C12CCCCC1C2
InChIInChI=1S/C11H20/c1-10(2,3)11-7-5-4-6-9(11)8-11/h9H,4-8H2,1-3H3
InChIKeyNBPUXTMALOUGLC-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-tert-butyl-3-cyclohexyloxane
CID 177073542
1-cyclopropyl-1-(1,1-difluoroethyl)cyclopentane
CID 162597867
2-tert-butyl-2-cyclohexyloxolane
CID 177073539
4-tert-butyl-1-cyclopentylcyclohexan-1-amine
CID 43809413
6-tert-butyl-3-azabicyclo[4.1.0]heptane;hydrochloride
CID 117045516
(1-methylcyclopentyl)cyclohexane
CID 13217819
1-cyclooctylcyclooctan-1-amine
CID 19973273
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
2-tert-butyl-1-cycloheptylcyclohexan-1-amine
CID 82931284
(1S,6R)-bicyclo[4.1.0]heptan-1-amine
CID 124660494
(1S,6S)-bicyclo[4.1.0]heptan-1-amine
CID 55289374
1,1a,2,3,4,4a,5,6,7,8-decahydrocyclopropa[j]naphthalene
CID 548931

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylbicyclo[4.1.0]heptane?
The IUPAC name of 1-tert-butylbicyclo[4.1.0]heptane (CID 13029060) is 1-tert-butylbicyclo[4.1.0]heptane.
What is the SMILES notation for 1-tert-butylbicyclo[4.1.0]heptane?
The canonical SMILES for 1-tert-butylbicyclo[4.1.0]heptane is CC(C)(C)C12CCCCC1C2.
What is the InChIKey of 1-tert-butylbicyclo[4.1.0]heptane?
The InChIKey is NBPUXTMALOUGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-10(2,3)11-7-5-4-6-9(11)8-11/h9H,4-8H2,1-3H3.
What are the key properties of 1-tert-butylbicyclo[4.1.0]heptane?
1-tert-butylbicyclo[4.1.0]heptane has a molecular weight of 152.28 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylbicyclo[4.1.0]heptane is sourced from PubChem (CID 13029060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).