1-(3,3-dimethylbutyl)bicyclo[1.1.1]pentane

C11H20 — CID 163628127

IUPAC1-(3,3-dimethylbutyl)bicyclo[1.1.1]pentane
SMILESCC(C)(C)CCC12CC(C1)C2
InChIInChI=1S/C11H20/c1-10(2,3)4-5-11-6-9(7-11)8-11/h9H,4-8H2,1-3H3
InChIKeyDZASJJGUNXDMSR-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.61
Rot. Bonds2

About 1-(3,3-dimethylbutyl)bicyclo[1.1.1]pentane

1-(3,3-dimethylbutyl)bicyclo[1.1.1]pentane (PubChem CID 163628127) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)bicyclo[1.1.1]pentane.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)bicyclo[1.1.1]pentane
PubChem CID163628127
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-(3,3-dimethylbutyl)bicyclo[1.1.1]pentane
SMILESCC(C)(C)CCC12CC(C1)C2
InChIInChI=1S/C11H20/c1-10(2,3)4-5-11-6-9(7-11)8-11/h9H,4-8H2,1-3H3
InChIKeyDZASJJGUNXDMSR-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

Analyze 1-(3,3-dimethylbutyl)bicyclo[1.1.1]pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(bromomethyl)-1-(3,3-dimethylbutyl)-2-methylcyclopropane
CID 165445766
N,N-bis[2-(1-adamantyl)ethyl]-2-methylpropan-2-amine
CID 153425161
4-(cyclopropylmethyl)-1-(3,3-dimethylbutyl)-2,6,7-trithiabicyclo[2.2.2]octane
CID 88512959
[4-(1-adamantyl)-2-methylbutan-2-yl] 2-methylprop-2-enoate
CID 139934567
1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 63411887
7-(3,3-dimethylbutyl)bicyclo[4.1.0]heptan-7-ol
CID 130484131
1,3,5-triethyladamantane
CID 21415733
1-(3,3-dimethylbutyl)-N-methylcyclopropan-1-amine
CID 83682072
1-(3,3-dimethylbutyl)cyclopropane-1-carbaldehyde
CID 131231052
1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 65424849
3-(4,4-dimethylpentyl)-3-methylazetidine
CID 176961474
1-ethyl-3,5-dipropyladamantane
CID 609649

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)bicyclo[1.1.1]pentane?
The IUPAC name of 1-(3,3-dimethylbutyl)bicyclo[1.1.1]pentane (CID 163628127) is 1-(3,3-dimethylbutyl)bicyclo[1.1.1]pentane.
What is the SMILES notation for 1-(3,3-dimethylbutyl)bicyclo[1.1.1]pentane?
The canonical SMILES for 1-(3,3-dimethylbutyl)bicyclo[1.1.1]pentane is CC(C)(C)CCC12CC(C1)C2.
What is the InChIKey of 1-(3,3-dimethylbutyl)bicyclo[1.1.1]pentane?
The InChIKey is DZASJJGUNXDMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-10(2,3)4-5-11-6-9(7-11)8-11/h9H,4-8H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutyl)bicyclo[1.1.1]pentane?
1-(3,3-dimethylbutyl)bicyclo[1.1.1]pentane has a molecular weight of 152.28 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)bicyclo[1.1.1]pentane is sourced from PubChem (CID 163628127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).