(1R,2S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-2-ol

C14H22O — CID 91752695

IUPAC(1R,2S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-2-ol
SMILESC=C1C2CC[C@H](O)[C@@]23CC[C@H](C3)C1(C)C
InChIInChI=1S/C14H22O/c1-9-11-4-5-12(15)14(11)7-6-10(8-14)13(9,2)3/h10-12,15H,1,4-8H2,2-3H3/t10-,11?,12+,14-/m1/s1
InChIKeyCXANYYGAUWHHNM-VFJKSUPXSA-N
MW206.33 g/mol
LogP3.14
Rot. Bonds

About (1R,2S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-2-ol

(1R,2S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-2-ol (PubChem CID 91752695) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (1R,2S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-2-ol.

Molecular Properties

Compound Name(1R,2S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-2-ol
PubChem CID91752695
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(1R,2S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-2-ol
SMILESC=C1C2CC[C@H](O)[C@@]23CC[C@H](C3)C1(C)C
InChIInChI=1S/C14H22O/c1-9-11-4-5-12(15)14(11)7-6-10(8-14)13(9,2)3/h10-12,15H,1,4-8H2,2-3H3/t10-,11?,12+,14-/m1/s1
InChIKeyCXANYYGAUWHHNM-VFJKSUPXSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane
CID 6427544
(1R,2R,5R,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-one
CID 162404696
(1R,4S)-1,3,3-trimethyl-2-methylidenebicyclo[2.2.1]heptane
CID 11435040
[(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]azanium
CID 40561855
6a-methyl-4-methylidene-1,2,3,3a,5,6-hexahydropentalen-1-ol
CID 14262022
sodium 3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylate
CID 23666915
(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
(1R,2S,5R,7R)-10,10-dimethyl-4-methylidenetricyclo[5.2.1.01,5]decane-2,5-diol
CID 15406232
2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;methanol
CID 19065853
(1R,4S)-N-hydroxy-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 99983687
(1S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
CID 6560191
1-pentylbicyclo[3.1.0]hexan-2-ol
CID 69469372

Frequently Asked Questions

What is the IUPAC name of (1R,2S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-2-ol?
The IUPAC name of (1R,2S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-2-ol (CID 91752695) is (1R,2S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-2-ol.
What is the SMILES notation for (1R,2S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-2-ol?
The canonical SMILES for (1R,2S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-2-ol is C=C1C2CC[C@H](O)[C@@]23CC[C@H](C3)C1(C)C.
What is the InChIKey of (1R,2S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-2-ol?
The InChIKey is CXANYYGAUWHHNM-VFJKSUPXSA-N. The full InChI is InChI=1S/C14H22O/c1-9-11-4-5-12(15)14(11)7-6-10(8-14)13(9,2)3/h10-12,15H,1,4-8H2,2-3H3/t10-,11?,12+,14-/m1/s1.
What are the key properties of (1R,2S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-2-ol?
(1R,2S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-2-ol has a molecular weight of 206.33 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-2-ol is sourced from PubChem (CID 91752695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).