(1R,2R,4S,7R)-2-(3,3-dimethylcyclobutyl)-1,4-dimethylbicyclo[2.2.1]heptan-7-ol

C15H26O — CID 11096193

IUPAC(1R,2R,4S,7R)-2-(3,3-dimethylcyclobutyl)-1,4-dimethylbicyclo[2.2.1]heptan-7-ol
SMILESCC1(C)CC([C@H]2C[C@]3(C)CC[C@@]2(C)[C@@H]3O)C1
InChIInChI=1S/C15H26O/c1-13(2)7-10(8-13)11-9-14(3)5-6-15(11,4)12(14)16/h10-12,16H,5-9H2,1-4H3/t11-,12-,14+,15-/m1/s1
InChIKeyLZHIRPDHQOYKJM-RJZRQDKASA-N
MW222.37 g/mol
LogP3.61
Rot. Bonds1

About (1R,2R,4S,7R)-2-(3,3-dimethylcyclobutyl)-1,4-dimethylbicyclo[2.2.1]heptan-7-ol

(1R,2R,4S,7R)-2-(3,3-dimethylcyclobutyl)-1,4-dimethylbicyclo[2.2.1]heptan-7-ol (PubChem CID 11096193) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1R,2R,4S,7R)-2-(3,3-dimethylcyclobutyl)-1,4-dimethylbicyclo[2.2.1]heptan-7-ol.

Molecular Properties

Compound Name(1R,2R,4S,7R)-2-(3,3-dimethylcyclobutyl)-1,4-dimethylbicyclo[2.2.1]heptan-7-ol
PubChem CID11096193
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1R,2R,4S,7R)-2-(3,3-dimethylcyclobutyl)-1,4-dimethylbicyclo[2.2.1]heptan-7-ol
SMILESCC1(C)CC([C@H]2C[C@]3(C)CC[C@@]2(C)[C@@H]3O)C1
InChIInChI=1S/C15H26O/c1-13(2)7-10(8-13)11-9-14(3)5-6-15(11,4)12(14)16/h10-12,16H,5-9H2,1-4H3/t11-,12-,14+,15-/m1/s1
InChIKeyLZHIRPDHQOYKJM-RJZRQDKASA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,2R,4S,7R)-2-(3,3-dimethylcyclobutyl)-1,4-dimethylbicyclo[2.2.1]heptan-7-ol with MolForge

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Related Compounds

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(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)methanol
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(1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol
CID 10931443
(3aR,7aR)-2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene
CID 91731723
(1R,2S,3R,6R,9S,11R,12S,14S)-6,9,12-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecan-11-ol
CID 162917025
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1,5-dimethylbicyclo[3.2.1]octan-8-ol;formic acid
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cis-(1R,2R)-2-[(1R,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutyl]-4,4-dimethylcyclopentan-1-ol
CID 101243669
(1aS,4aS,6R,7aR,7bR)-3,3,7b-trimethyl-5-methylidene-1,1a,2,4,4a,6,7,7a-octahydrocyclopropa[e]azulen-6-ol
CID 162968973

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,7R)-2-(3,3-dimethylcyclobutyl)-1,4-dimethylbicyclo[2.2.1]heptan-7-ol?
The IUPAC name of (1R,2R,4S,7R)-2-(3,3-dimethylcyclobutyl)-1,4-dimethylbicyclo[2.2.1]heptan-7-ol (CID 11096193) is (1R,2R,4S,7R)-2-(3,3-dimethylcyclobutyl)-1,4-dimethylbicyclo[2.2.1]heptan-7-ol.
What is the SMILES notation for (1R,2R,4S,7R)-2-(3,3-dimethylcyclobutyl)-1,4-dimethylbicyclo[2.2.1]heptan-7-ol?
The canonical SMILES for (1R,2R,4S,7R)-2-(3,3-dimethylcyclobutyl)-1,4-dimethylbicyclo[2.2.1]heptan-7-ol is CC1(C)CC([C@H]2C[C@]3(C)CC[C@@]2(C)[C@@H]3O)C1.
What is the InChIKey of (1R,2R,4S,7R)-2-(3,3-dimethylcyclobutyl)-1,4-dimethylbicyclo[2.2.1]heptan-7-ol?
The InChIKey is LZHIRPDHQOYKJM-RJZRQDKASA-N. The full InChI is InChI=1S/C15H26O/c1-13(2)7-10(8-13)11-9-14(3)5-6-15(11,4)12(14)16/h10-12,16H,5-9H2,1-4H3/t11-,12-,14+,15-/m1/s1.
What are the key properties of (1R,2R,4S,7R)-2-(3,3-dimethylcyclobutyl)-1,4-dimethylbicyclo[2.2.1]heptan-7-ol?
(1R,2R,4S,7R)-2-(3,3-dimethylcyclobutyl)-1,4-dimethylbicyclo[2.2.1]heptan-7-ol has a molecular weight of 222.37 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,7R)-2-(3,3-dimethylcyclobutyl)-1,4-dimethylbicyclo[2.2.1]heptan-7-ol is sourced from PubChem (CID 11096193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).