(1R,4S)-1,7,7-trimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane

C12H18 — CID 101254868

IUPAC(1R,4S)-1,7,7-trimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane
SMILESC=C1C(=C)[C@]2(C)CC[C@H]1C2(C)C
InChIInChI=1S/C12H18/c1-8-9(2)12(5)7-6-10(8)11(12,3)4/h10H,1-2,6-7H2,3-5H3/t10-,12+/m1/s1
InChIKeyKATWYPOHFQOIHH-PWSUYJOCSA-N
MW162.28 g/mol
LogP3.55
Rot. Bonds

About (1R,4S)-1,7,7-trimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane

(1R,4S)-1,7,7-trimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane (PubChem CID 101254868) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (1R,4S)-1,7,7-trimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4S)-1,7,7-trimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane
PubChem CID101254868
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(1R,4S)-1,7,7-trimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane
SMILESC=C1C(=C)[C@]2(C)CC[C@H]1C2(C)C
InChIInChI=1S/C12H18/c1-8-9(2)12(5)7-6-10(8)11(12,3)4/h10H,1-2,6-7H2,3-5H3/t10-,12+/m1/s1
InChIKeyKATWYPOHFQOIHH-PWSUYJOCSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;bis(1,7,7-trimethyl-3-methylidenebicyclo[2.2.1]heptan-2-one)
CID 159226185
3-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-amine
CID 170394374
(1R)-1,7,7-trimethyl-2-methylidenebicyclo[2.2.1]heptane
CID 162213995
1,8,8-trimethylbicyclo[3.2.1]octane-2,3,4-trione
CID 13087895
(1R,3Z,4R)-1,7,7-trimethyl-3-[(2Z)-2-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]ethylidene]bicyclo[2.2.1]heptan-2-one
CID 98103030
(1S,3Z,4R)-3-ethylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 7158988
(3E)-3-ethylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 59931498
(1S,5R)-3,3-dibromo-1,8,8-trimethylbicyclo[3.2.1]octane-2,4-dione
CID 7054424
1-[(1R,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]ethanone
CID 23309151
(1S,3E,4S)-3-(hydroxymethylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 98129061
(1R,5S)-4-hydroxy-5,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CID 7156873
(1R,3E,4S)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 7271809

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1,7,7-trimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane?
The IUPAC name of (1R,4S)-1,7,7-trimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane (CID 101254868) is (1R,4S)-1,7,7-trimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4S)-1,7,7-trimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4S)-1,7,7-trimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane is C=C1C(=C)[C@]2(C)CC[C@H]1C2(C)C.
What is the InChIKey of (1R,4S)-1,7,7-trimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane?
The InChIKey is KATWYPOHFQOIHH-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H18/c1-8-9(2)12(5)7-6-10(8)11(12,3)4/h10H,1-2,6-7H2,3-5H3/t10-,12+/m1/s1.
What are the key properties of (1R,4S)-1,7,7-trimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane?
(1R,4S)-1,7,7-trimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane has a molecular weight of 162.28 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1,7,7-trimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 101254868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).