(2S)-2-methylbicyclo[2.2.1]heptane;propane

C11H22 — CID 157354285

IUPAC(2S)-2-methylbicyclo[2.2.1]heptane;propane
SMILESCCC.C[C@H]1CC2CCC1C2
InChIInChI=1S/C8H14.C3H8/c1-6-4-7-2-3-8(6)5-7;1-3-2/h6-8H,2-5H2,1H3;3H2,1-2H3/t6-,7?,8?;/m0./s1
InChIKeyBHWZORQUDNACHM-JTWCQKHYSA-N
MW154.30 g/mol
LogP3.86
Rot. Bonds

About (2S)-2-methylbicyclo[2.2.1]heptane;propane

(2S)-2-methylbicyclo[2.2.1]heptane;propane (PubChem CID 157354285) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is (2S)-2-methylbicyclo[2.2.1]heptane;propane.

Molecular Properties

Compound Name(2S)-2-methylbicyclo[2.2.1]heptane;propane
PubChem CID157354285
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name(2S)-2-methylbicyclo[2.2.1]heptane;propane
SMILESCCC.C[C@H]1CC2CCC1C2
InChIInChI=1S/C8H14.C3H8/c1-6-4-7-2-3-8(6)5-7;1-3-2/h6-8H,2-5H2,1H3;3H2,1-2H3/t6-,7?,8?;/m0./s1
InChIKeyBHWZORQUDNACHM-JTWCQKHYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

exo-Tetrahydrodicyclopentadiene
CID 11159354
4,7-Methano-1H-indene, octahydro-
CID 17795
Bornane
CID 92108
Isocamphane
CID 296894
Norbornane, 2-isobutyl-
CID 565405
4,7-Methano-1H-indene, octahydro-, (3aR,4R,7S,7aS)-rel-
CID 9812790
7,7-Dimethyl-bicyclo(2.2.1)heptane
CID 137289
Bicyclo(2.2.1)heptane, 2-ethyl-
CID 137449
Fenchane
CID 138701
2,3-Dimethylbicyclo(2.2.1)heptane
CID 140711
(1S,3S,4R)-2,2,3-Trimethylbicyclo(2.2.1)heptane
CID 71418467
2-Methylbicyclo(2.2.1)heptane
CID 136674

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylbicyclo[2.2.1]heptane;propane?
The IUPAC name of (2S)-2-methylbicyclo[2.2.1]heptane;propane (CID 157354285) is (2S)-2-methylbicyclo[2.2.1]heptane;propane.
What is the SMILES notation for (2S)-2-methylbicyclo[2.2.1]heptane;propane?
The canonical SMILES for (2S)-2-methylbicyclo[2.2.1]heptane;propane is CCC.C[C@H]1CC2CCC1C2.
What is the InChIKey of (2S)-2-methylbicyclo[2.2.1]heptane;propane?
The InChIKey is BHWZORQUDNACHM-JTWCQKHYSA-N. The full InChI is InChI=1S/C8H14.C3H8/c1-6-4-7-2-3-8(6)5-7;1-3-2/h6-8H,2-5H2,1H3;3H2,1-2H3/t6-,7?,8?;/m0./s1.
What are the key properties of (2S)-2-methylbicyclo[2.2.1]heptane;propane?
(2S)-2-methylbicyclo[2.2.1]heptane;propane has a molecular weight of 154.30 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylbicyclo[2.2.1]heptane;propane is sourced from PubChem (CID 157354285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).