2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;methanol

C11H20O — CID 19065853

IUPAC2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;methanol
SMILESC=C1C2CCC(C2)C1(C)C.CO
InChIInChI=1S/C10H16.CH4O/c1-7-8-4-5-9(6-8)10(7,2)3;1-2/h8-9H,1,4-6H2,2-3H3;2H,1H3
InChIKeyYWGGTEPLUDUIFU-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.61
Rot. Bonds

About 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;methanol

2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;methanol (PubChem CID 19065853) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;methanol.

Molecular Properties

Compound Name2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;methanol
PubChem CID19065853
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;methanol
SMILESC=C1C2CCC(C2)C1(C)C.CO
InChIInChI=1S/C10H16.CH4O/c1-7-8-4-5-9(6-8)10(7,2)3;1-2/h8-9H,1,4-6H2,2-3H3;2H,1H3
InChIKeyYWGGTEPLUDUIFU-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
CID 173099126
(1R,4R)-3,3-dimethylbicyclo[2.2.1]heptan-2-one
CID 98049650
(1S,4R)-3-ethenylidene-2,2-dimethylbicyclo[2.2.1]heptane
CID 11105521
(1S,2R,4R)-2-methyl-3-methylidene-2-(2-methylpropyl)bicyclo[2.2.1]heptane
CID 158630682
(1S,2S,4S)-2-ethynyl-3-methylidenebicyclo[2.2.1]heptan-2-ol
CID 129389246
(1S)-2-methyl-3-methylidene-2-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane
CID 90472923
(1S,3Z,4S)-3-(fluoromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane
CID 98125583
(1R,3E,4R)-3-(fluoromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane
CID 98125587
2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;2-methylbutanoic acid;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate
CID 158197480
2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-1-en-3-ol
CID 54129686
(2E)-2-[(1S,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]acetate
CID 7324932
(2E)-2-[(1S,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]acetate
CID 50937784

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;methanol?
The IUPAC name of 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;methanol (CID 19065853) is 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;methanol.
What is the SMILES notation for 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;methanol?
The canonical SMILES for 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;methanol is C=C1C2CCC(C2)C1(C)C.CO.
What is the InChIKey of 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;methanol?
The InChIKey is YWGGTEPLUDUIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.CH4O/c1-7-8-4-5-9(6-8)10(7,2)3;1-2/h8-9H,1,4-6H2,2-3H3;2H,1H3.
What are the key properties of 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;methanol?
2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;methanol has a molecular weight of 168.28 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;methanol is sourced from PubChem (CID 19065853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).