(1S,2R,4S,6S)-6-propan-2-ylbicyclo[2.2.1]heptan-2-ol

C10H18O — CID 130944389

IUPAC(1S,2R,4S,6S)-6-propan-2-ylbicyclo[2.2.1]heptan-2-ol
SMILESCC(C)[C@@H]1C[C@H]2C[C@@H]1[C@H](O)C2
InChIInChI=1S/C10H18O/c1-6(2)8-3-7-4-9(8)10(11)5-7/h6-11H,3-5H2,1-2H3/t7-,8-,9-,10+/m0/s1
InChIKeyVWTBDDDQASXBRE-AATLWQCWSA-N
MW154.25 g/mol
LogP2.05
Rot. Bonds1

About (1S,2R,4S,6S)-6-propan-2-ylbicyclo[2.2.1]heptan-2-ol

(1S,2R,4S,6S)-6-propan-2-ylbicyclo[2.2.1]heptan-2-ol (PubChem CID 130944389) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1S,2R,4S,6S)-6-propan-2-ylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2R,4S,6S)-6-propan-2-ylbicyclo[2.2.1]heptan-2-ol
PubChem CID130944389
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1S,2R,4S,6S)-6-propan-2-ylbicyclo[2.2.1]heptan-2-ol
SMILESCC(C)[C@@H]1C[C@H]2C[C@@H]1[C@H](O)C2
InChIInChI=1S/C10H18O/c1-6(2)8-3-7-4-9(8)10(11)5-7/h6-11H,3-5H2,1-2H3/t7-,8-,9-,10+/m0/s1
InChIKeyVWTBDDDQASXBRE-AATLWQCWSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R,4S,5R)-5-propan-2-ylcyclohexane-1,2,4-triol
CID 157009791
[(1S)-1-[(1R,2R,4S,6S)-6-hydroxy-2-bicyclo[2.2.1]heptanyl]ethyl] 4-methylbenzenesulfonate
CID 10018289
(2R)-6-tert-butylbicyclo[2.2.1]heptan-2-ol
CID 2825181
cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol
CID 162463333
cis-(1R,2R)-2-propan-2-ylcyclobutan-1-ol
CID 153486186
(1S,2S,4R,5S)-4,5-difluoro-2-propan-2-ylcyclohexan-1-ol
CID 177300411
(1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol
CID 130792617
(1R,3R,4S)-4-propan-2-ylcyclohexane-1,3-diol
CID 130918219
3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane
CID 175612432
(1S)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol
CID 91437445
cis-(2R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol
CID 157009951
4-propan-2-ylcyclopentane-1,2-diol
CID 20608687

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S,6S)-6-propan-2-ylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2R,4S,6S)-6-propan-2-ylbicyclo[2.2.1]heptan-2-ol (CID 130944389) is (1S,2R,4S,6S)-6-propan-2-ylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2R,4S,6S)-6-propan-2-ylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2R,4S,6S)-6-propan-2-ylbicyclo[2.2.1]heptan-2-ol is CC(C)[C@@H]1C[C@H]2C[C@@H]1[C@H](O)C2.
What is the InChIKey of (1S,2R,4S,6S)-6-propan-2-ylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is VWTBDDDQASXBRE-AATLWQCWSA-N. The full InChI is InChI=1S/C10H18O/c1-6(2)8-3-7-4-9(8)10(11)5-7/h6-11H,3-5H2,1-2H3/t7-,8-,9-,10+/m0/s1.
What are the key properties of (1S,2R,4S,6S)-6-propan-2-ylbicyclo[2.2.1]heptan-2-ol?
(1S,2R,4S,6S)-6-propan-2-ylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 154.25 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,6S)-6-propan-2-ylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 130944389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).