(7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl)methanol

C12H20O2 — CID 162836476

IUPAC(7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl)methanol
SMILESC=C1C2C(CO)CC(C2OC)C1(C)C
InChIInChI=1S/C12H20O2/c1-7-10-8(6-13)5-9(11(10)14-4)12(7,2)3/h8-11,13H,1,5-6H2,2-4H3
InChIKeyUZFSQUKFFLHMMM-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.84
Rot. Bonds2

About (7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl)methanol

(7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl)methanol (PubChem CID 162836476) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl)methanol.

Molecular Properties

Compound Name(7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl)methanol
PubChem CID162836476
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl)methanol
SMILESC=C1C2C(CO)CC(C2OC)C1(C)C
InChIInChI=1S/C12H20O2/c1-7-10-8(6-13)5-9(11(10)14-4)12(7,2)3/h8-11,13H,1,5-6H2,2-4H3
InChIKeyUZFSQUKFFLHMMM-UHFFFAOYSA-N
XLogP1.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Camphenol, 6-
CID 526611
Seiricardine A
CID 183116
6,6-Dimethyl-5-methylidenebicyclo[2.2.1]heptan-2-ol
CID 85185505
(1S,2R,3R,4S,7R,8S,9S)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol
CID 5478956
6-Camphenol
CID 180537
3a,4,5-trimethyl-1-prop-1-en-2-yl-2,3,4,6,7,7a-hexahydro-1H-indene-2,5-diol
CID 3508973
7-Methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol
CID 14165724
Isosativenediol
CID 131855299
(4R)-7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol
CID 139583258
Isosativenetriol
CID 139584206
(1R,2R,3R,4R,7S,8R,9R)-7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol
CID 162995405
(1R,2S,3S,4R,7S,8R,9R)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol
CID 163048540

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl)methanol?
The IUPAC name of (7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl)methanol (CID 162836476) is (7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl)methanol.
What is the SMILES notation for (7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl)methanol?
The canonical SMILES for (7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl)methanol is C=C1C2C(CO)CC(C2OC)C1(C)C.
What is the InChIKey of (7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl)methanol?
The InChIKey is UZFSQUKFFLHMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-7-10-8(6-13)5-9(11(10)14-4)12(7,2)3/h8-11,13H,1,5-6H2,2-4H3.
What are the key properties of (7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl)methanol?
(7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl)methanol has a molecular weight of 196.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl)methanol is sourced from PubChem (CID 162836476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).