2,2-dimethyl-3-prop-1-enylbicyclo[2.2.1]heptane

C12H20 — CID 73188469

IUPAC2,2-dimethyl-3-prop-1-enylbicyclo[2.2.1]heptane
SMILESCC=CC1C2CCC(C2)C1(C)C
InChIInChI=1S/C12H20/c1-4-5-11-9-6-7-10(8-9)12(11,2)3/h4-5,9-11H,6-8H2,1-3H3
InChIKeyMMQPBQBTTQQPNL-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.63
Rot. Bonds1

About 2,2-dimethyl-3-prop-1-enylbicyclo[2.2.1]heptane

2,2-dimethyl-3-prop-1-enylbicyclo[2.2.1]heptane (PubChem CID 73188469) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2,2-dimethyl-3-prop-1-enylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,2-dimethyl-3-prop-1-enylbicyclo[2.2.1]heptane
PubChem CID73188469
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2,2-dimethyl-3-prop-1-enylbicyclo[2.2.1]heptane
SMILESCC=CC1C2CCC(C2)C1(C)C
InChIInChI=1S/C12H20/c1-4-5-11-9-6-7-10(8-9)12(11,2)3/h4-5,9-11H,6-8H2,1-3H3
InChIKeyMMQPBQBTTQQPNL-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.63
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

(1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane
CID 14744268
(1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 164833462
(1R,2S,4S)-3,3-dimethylbicyclo[2.2.1]heptane-2-carbonitrile
CID 166525664
2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propanal
CID 22914140
3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]-2,2-dimethylbicyclo[2.2.1]heptane
CID 54247080
1-[(1S,2S,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanone
CID 98051573
2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol
CID 102267718
3-(2-chloroethyl)-2,2-dimethylbicyclo[2.2.1]heptane
CID 50741626
(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl formate
CID 131856690
1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylbut-3-en-1-ol
CID 70605401
(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane
CID 91146278
1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
CID 59431504

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-prop-1-enylbicyclo[2.2.1]heptane?
The IUPAC name of 2,2-dimethyl-3-prop-1-enylbicyclo[2.2.1]heptane (CID 73188469) is 2,2-dimethyl-3-prop-1-enylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2,2-dimethyl-3-prop-1-enylbicyclo[2.2.1]heptane?
The canonical SMILES for 2,2-dimethyl-3-prop-1-enylbicyclo[2.2.1]heptane is CC=CC1C2CCC(C2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-prop-1-enylbicyclo[2.2.1]heptane?
The InChIKey is MMQPBQBTTQQPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-5-11-9-6-7-10(8-9)12(11,2)3/h4-5,9-11H,6-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-prop-1-enylbicyclo[2.2.1]heptane?
2,2-dimethyl-3-prop-1-enylbicyclo[2.2.1]heptane has a molecular weight of 164.29 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-prop-1-enylbicyclo[2.2.1]heptane is sourced from PubChem (CID 73188469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).