(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane

C10H18 — CID 58921505

IUPAC(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
SMILESCC(C)[C@H]1C[C@H]2CCC1C2
InChIInChI=1S/C10H18/c1-7(2)10-6-8-3-4-9(10)5-8/h7-10H,3-6H2,1-2H3/t8-,9?,10+/m0/s1
InChIKeySPDGGMLOTGMUGR-DJBFQZMMSA-N
MW138.25 g/mol
LogP3.08
Rot. Bonds1

About (2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane

(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane (PubChem CID 58921505) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
PubChem CID58921505
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
SMILESCC(C)[C@H]1C[C@H]2CCC1C2
InChIInChI=1S/C10H18/c1-7(2)10-6-8-3-4-9(10)5-8/h7-10H,3-6H2,1-2H3/t8-,9?,10+/m0/s1
InChIKeySPDGGMLOTGMUGR-DJBFQZMMSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,5-di(propan-2-yl)bicyclo[2.2.2]octane
CID 140828495
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675
(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
1-propan-2-yladamantane;2-propan-2-ylbicyclo[2.2.1]heptane;2-propan-2-ylbicyclo[3.2.1]octane;1-propan-2-ylbicyclo[1.1.1]pentane
CID 167643637
2-(dibromomethyl)bicyclo[2.2.1]heptane
CID 68736675
2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane
CID 91611699
(2R,7S)-7-methyl-2-propan-2-ylbicyclo[3.3.1]nonane
CID 163804564
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine
CID 98119580
amino(2-bicyclo[2.2.1]heptanyl)methanol
CID 166969475
2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]propanedinitrile
CID 11252164

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane?
The IUPAC name of (2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane (CID 58921505) is (2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane.
What is the SMILES notation for (2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane?
The canonical SMILES for (2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane is CC(C)[C@H]1C[C@H]2CCC1C2.
What is the InChIKey of (2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane?
The InChIKey is SPDGGMLOTGMUGR-DJBFQZMMSA-N. The full InChI is InChI=1S/C10H18/c1-7(2)10-6-8-3-4-9(10)5-8/h7-10H,3-6H2,1-2H3/t8-,9?,10+/m0/s1.
What are the key properties of (2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane?
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane has a molecular weight of 138.25 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane is sourced from PubChem (CID 58921505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).