7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol

C11H18O2 — CID 162938801

IUPAC7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol
SMILESC=C1C2CCC(C1(C)C)C2(O)OC
InChIInChI=1S/C11H18O2/c1-7-8-5-6-9(10(7,2)3)11(8,12)13-4/h8-9,12H,1,5-6H2,2-4H3
InChIKeyULXVYNSMRQSIMB-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.94
Rot. Bonds1

About 7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol

7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol (PubChem CID 162938801) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol.

Molecular Properties

Compound Name7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol
PubChem CID162938801
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol
SMILESC=C1C2CCC(C1(C)C)C2(O)OC
InChIInChI=1S/C11H18O2/c1-7-8-5-6-9(10(7,2)3)11(8,12)13-4/h8-9,12H,1,5-6H2,2-4H3
InChIKeyULXVYNSMRQSIMB-UHFFFAOYSA-N
XLogP1.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-Dimethyl-3-methylidenebicyclo[2.2.1]heptan-1-ol
CID 13096479
2,2-Dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol
CID 15559879
(1R,2R,4S)-3,3,7,7-tetramethyl-2-(2-methylprop-2-enyl)bicyclo[2.2.1]heptan-2-ol
CID 134878999
(1R,4S,7R)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol
CID 10909763
(1S,2S,4R)-7,7-dimethoxy-2-prop-1-en-2-ylbicyclo[2.2.1]heptane
CID 101607054
2-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylpent-4-en-2-ol
CID 21319788
2-(Hydroxymethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptan-1-ol
CID 54010181
(1R,4R,7S)-2,2-dimethyl-3-methylidene-7-pentylbicyclo[2.2.1]heptan-1-ol
CID 11042316
(1R,2R,4S)-7,7-dimethoxy-2-prop-1-en-2-ylbicyclo[2.2.1]heptane
CID 12469384
1,3,3-Trimethyl-5-methylidenebicyclo[2.2.1]heptan-7-ol
CID 130151167
(1R,4S,7S)-1,3,3-trimethyl-5-methylidenebicyclo[2.2.1]heptan-7-ol
CID 133617472
(1S,4R,7S)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol
CID 133619001

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol?
The IUPAC name of 7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol (CID 162938801) is 7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol.
What is the SMILES notation for 7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol?
The canonical SMILES for 7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol is C=C1C2CCC(C1(C)C)C2(O)OC.
What is the InChIKey of 7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol?
The InChIKey is ULXVYNSMRQSIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-7-8-5-6-9(10(7,2)3)11(8,12)13-4/h8-9,12H,1,5-6H2,2-4H3.
What are the key properties of 7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol?
7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol has a molecular weight of 182.26 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol is sourced from PubChem (CID 162938801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).