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

C11H18 — CID 11435040

IUPAC(1R,4S)-1,3,3-trimethyl-2-methylidenebicyclo[2.2.1]heptane
SMILESC=C1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C11H18/c1-8-10(2,3)9-5-6-11(8,4)7-9/h9H,1,5-7H2,2-4H3/t9-,11+/m0/s1
InChIKeyIWWRARFUNWPJJJ-GXSJLCMTSA-N
MW150.26 g/mol
LogP3.39
Rot. Bonds

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

(1R,4S)-1,3,3-trimethyl-2-methylidenebicyclo[2.2.1]heptane (PubChem CID 11435040) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (1R,4S)-1,3,3-trimethyl-2-methylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4S)-1,3,3-trimethyl-2-methylidenebicyclo[2.2.1]heptane
PubChem CID11435040
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(1R,4S)-1,3,3-trimethyl-2-methylidenebicyclo[2.2.1]heptane
SMILESC=C1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C11H18/c1-8-10(2,3)9-5-6-11(8,4)7-9/h9H,1,5-7H2,2-4H3/t9-,11+/m0/s1
InChIKeyIWWRARFUNWPJJJ-GXSJLCMTSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.39
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,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
CID 6560191
[(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]azanium
CID 40561855
[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]methanone
CID 134874429
(E)-[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine
CID 98298665
(1R,4S)-N'-[(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide
CID 99639953
sodium 3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylate
CID 23666915
(1R,4S)-N-hydroxy-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 99983687
1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-imine
CID 14893011
[(E)-[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino] cyclopropanecarboxylate
CID 6339509
(1R,4S)-N-cyclopentyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 98086081
(1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane
CID 6427544
(1R,2S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-2-ol
CID 91752695

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1,3,3-trimethyl-2-methylidenebicyclo[2.2.1]heptane?
The IUPAC name of (1R,4S)-1,3,3-trimethyl-2-methylidenebicyclo[2.2.1]heptane (CID 11435040) is (1R,4S)-1,3,3-trimethyl-2-methylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4S)-1,3,3-trimethyl-2-methylidenebicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4S)-1,3,3-trimethyl-2-methylidenebicyclo[2.2.1]heptane is C=C1C(C)(C)[C@H]2CC[C@]1(C)C2.
What is the InChIKey of (1R,4S)-1,3,3-trimethyl-2-methylidenebicyclo[2.2.1]heptane?
The InChIKey is IWWRARFUNWPJJJ-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H18/c1-8-10(2,3)9-5-6-11(8,4)7-9/h9H,1,5-7H2,2-4H3/t9-,11+/m0/s1.
What are the key properties of (1R,4S)-1,3,3-trimethyl-2-methylidenebicyclo[2.2.1]heptane?
(1R,4S)-1,3,3-trimethyl-2-methylidenebicyclo[2.2.1]heptane has a molecular weight of 150.26 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1,3,3-trimethyl-2-methylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 11435040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).