(1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol

C10H18O — CID 91871275

IUPAC(1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
SMILESCC1(C)C2CC[C@@](C)(O)[C@H]1C2
InChIInChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3/t7?,8-,10+/m0/s1
InChIKeyYYWZKGZIIKPPJZ-DXEWVWIPSA-N
MW154.25 g/mol
LogP2.19
Rot. Bonds

About (1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol

(1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol (PubChem CID 91871275) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
PubChem CID91871275
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
SMILESCC1(C)C2CC[C@@](C)(O)[C@H]1C2
InChIInChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3/t7?,8-,10+/m0/s1
InChIKeyYYWZKGZIIKPPJZ-DXEWVWIPSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 51004058
2,6,6-trimethyl-2-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane
CID 23528933
5,10,14,17,17-pentamethyl-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-14-ol
CID 45028614
2-(2-hydroxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
CID 130151891
(1R,2S,5R)-2-hydroperoxy-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 98059544
(1S,5R)-2-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 59952678
1'-ethyl-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol
CID 142311973
CID 101109810
CID 101109810
(1R,5S)-1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]
CID 11438240
(1R,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]
CID 3034388
1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]
CID 72961616
(1R,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]
CID 11789400

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol?
The IUPAC name of (1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol (CID 91871275) is (1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol.
What is the SMILES notation for (1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol?
The canonical SMILES for (1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol is CC1(C)C2CC[C@@](C)(O)[C@H]1C2.
What is the InChIKey of (1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol?
The InChIKey is YYWZKGZIIKPPJZ-DXEWVWIPSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3/t7?,8-,10+/m0/s1.
What are the key properties of (1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol?
(1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol has a molecular weight of 154.25 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol is sourced from PubChem (CID 91871275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).