2-propan-2-yltricyclo[2.2.1.02,6]heptan-3-ol

C10H16O — CID 176797226

IUPAC2-propan-2-yltricyclo[2.2.1.02,6]heptan-3-ol
SMILESCC(C)C12C(O)C3CC1C2C3
InChIInChI=1S/C10H16O/c1-5(2)10-7-3-6(9(10)11)4-8(7)10/h5-9,11H,3-4H2,1-2H3
InChIKeyBJLWXMPRZSYFNL-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.66
Rot. Bonds1

About 2-propan-2-yltricyclo[2.2.1.02,6]heptan-3-ol

2-propan-2-yltricyclo[2.2.1.02,6]heptan-3-ol (PubChem CID 176797226) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-propan-2-yltricyclo[2.2.1.02,6]heptan-3-ol.

Molecular Properties

Compound Name2-propan-2-yltricyclo[2.2.1.02,6]heptan-3-ol
PubChem CID176797226
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-propan-2-yltricyclo[2.2.1.02,6]heptan-3-ol
SMILESCC(C)C12C(O)C3CC1C2C3
InChIInChI=1S/C10H16O/c1-5(2)10-7-3-6(9(10)11)4-8(7)10/h5-9,11H,3-4H2,1-2H3
InChIKeyBJLWXMPRZSYFNL-UHFFFAOYSA-N
XLogP1.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
CID 91753443
(1R)-1-propan-2-yltricyclo[5.1.0.02,4]octane
CID 163620307
(1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
CID 11263535
(1S,3S,5R)-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
CID 95565705
(2R,5S,7R)-1-(1-aminoethyl)adamantan-2-ol
CID 102057489
(1S,3R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
CID 5459764
7,7-dimethyl-5-propan-2-ylbicyclo[3.2.1]octan-2-ol
CID 69037673
2,2-di(propan-2-yl)-1,3-dioxan-5-ol
CID 130130321
cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
CID 59686945
3-propan-2-ylbicyclo[3.2.1]octan-3-ol
CID 140568777
1-methyl-3-propan-2-ylbicyclo[2.2.2]octan-2-ol
CID 57220355
trans-(1R,2R)-cyclopropane-1,2-diol
CID 59075452

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yltricyclo[2.2.1.02,6]heptan-3-ol?
The IUPAC name of 2-propan-2-yltricyclo[2.2.1.02,6]heptan-3-ol (CID 176797226) is 2-propan-2-yltricyclo[2.2.1.02,6]heptan-3-ol.
What is the SMILES notation for 2-propan-2-yltricyclo[2.2.1.02,6]heptan-3-ol?
The canonical SMILES for 2-propan-2-yltricyclo[2.2.1.02,6]heptan-3-ol is CC(C)C12C(O)C3CC1C2C3.
What is the InChIKey of 2-propan-2-yltricyclo[2.2.1.02,6]heptan-3-ol?
The InChIKey is BJLWXMPRZSYFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-5(2)10-7-3-6(9(10)11)4-8(7)10/h5-9,11H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-yltricyclo[2.2.1.02,6]heptan-3-ol?
2-propan-2-yltricyclo[2.2.1.02,6]heptan-3-ol has a molecular weight of 152.24 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yltricyclo[2.2.1.02,6]heptan-3-ol is sourced from PubChem (CID 176797226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).