4-propan-2-yltricyclo[5.2.1.02,6]decan-8-ol

C13H22O — CID 20697986

IUPAC4-propan-2-yltricyclo[5.2.1.02,6]decan-8-ol
SMILESCC(C)C1CC2C3CC(O)C(C3)C2C1
InChIInChI=1S/C13H22O/c1-7(2)8-3-10-9-5-12(11(10)4-8)13(14)6-9/h7-14H,3-6H2,1-2H3
InChIKeyBTEXVRRMECJHDU-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.69
Rot. Bonds1

About 4-propan-2-yltricyclo[5.2.1.02,6]decan-8-ol

4-propan-2-yltricyclo[5.2.1.02,6]decan-8-ol (PubChem CID 20697986) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-propan-2-yltricyclo[5.2.1.02,6]decan-8-ol.

Molecular Properties

Compound Name4-propan-2-yltricyclo[5.2.1.02,6]decan-8-ol
PubChem CID20697986
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name4-propan-2-yltricyclo[5.2.1.02,6]decan-8-ol
SMILESCC(C)C1CC2C3CC(O)C(C3)C2C1
InChIInChI=1S/C13H22O/c1-7(2)8-3-10-9-5-12(11(10)4-8)13(14)6-9/h7-14H,3-6H2,1-2H3
InChIKeyBTEXVRRMECJHDU-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(1R,2R,4R,6S,7S,8R)-tricyclo[5.2.1.02,6]decane-4,8-diol
CID 124916176
4-propan-2-ylcyclopentane-1,2-diol
CID 20608687
(3R,4S)-tricyclo[4.2.1.03,7]nonan-4-ol
CID 12649513
trans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol
CID 6431599
(2R,6R,8S)-tricyclo[5.2.1.02,6]decan-8-ol
CID 91749092
(1R,2S,6S,7R,8S)-tricyclo[5.2.1.02,6]decan-8-ol
CID 21118867
4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]decan-8-ol
CID 167425034
2-(4-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-ol
CID 79423201
tricyclo[5.2.1.02,6]decane-3,4,9-triol
CID 13191206
3-propan-2-yltricyclo[3.1.1.12,4]octane
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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yltricyclo[5.2.1.02,6]decan-8-ol?
The IUPAC name of 4-propan-2-yltricyclo[5.2.1.02,6]decan-8-ol (CID 20697986) is 4-propan-2-yltricyclo[5.2.1.02,6]decan-8-ol.
What is the SMILES notation for 4-propan-2-yltricyclo[5.2.1.02,6]decan-8-ol?
The canonical SMILES for 4-propan-2-yltricyclo[5.2.1.02,6]decan-8-ol is CC(C)C1CC2C3CC(O)C(C3)C2C1.
What is the InChIKey of 4-propan-2-yltricyclo[5.2.1.02,6]decan-8-ol?
The InChIKey is BTEXVRRMECJHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-7(2)8-3-10-9-5-12(11(10)4-8)13(14)6-9/h7-14H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-yltricyclo[5.2.1.02,6]decan-8-ol?
4-propan-2-yltricyclo[5.2.1.02,6]decan-8-ol has a molecular weight of 194.32 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yltricyclo[5.2.1.02,6]decan-8-ol is sourced from PubChem (CID 20697986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).