(1R,3R,5S)-3-(1,3-dioxolan-2-ylmethyl)-2,2,5-trimethylcyclopentan-1-ol

C12H22O3 — CID 15143308

IUPAC(1R,3R,5S)-3-(1,3-dioxolan-2-ylmethyl)-2,2,5-trimethylcyclopentan-1-ol
SMILESC[C@H]1C[C@H](CC2OCCO2)C(C)(C)[C@@H]1O
InChIInChI=1S/C12H22O3/c1-8-6-9(12(2,3)11(8)13)7-10-14-4-5-15-10/h8-11,13H,4-7H2,1-3H3/t8-,9+,11+/m0/s1
InChIKeyHHXQDHBNIFRKGI-IQJOONFLSA-N
MW214.30 g/mol
LogP1.79
Rot. Bonds2

About (1R,3R,5S)-3-(1,3-dioxolan-2-ylmethyl)-2,2,5-trimethylcyclopentan-1-ol

(1R,3R,5S)-3-(1,3-dioxolan-2-ylmethyl)-2,2,5-trimethylcyclopentan-1-ol (PubChem CID 15143308) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (1R,3R,5S)-3-(1,3-dioxolan-2-ylmethyl)-2,2,5-trimethylcyclopentan-1-ol.

Molecular Properties

Compound Name(1R,3R,5S)-3-(1,3-dioxolan-2-ylmethyl)-2,2,5-trimethylcyclopentan-1-ol
PubChem CID15143308
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(1R,3R,5S)-3-(1,3-dioxolan-2-ylmethyl)-2,2,5-trimethylcyclopentan-1-ol
SMILESC[C@H]1C[C@H](CC2OCCO2)C(C)(C)[C@@H]1O
InChIInChI=1S/C12H22O3/c1-8-6-9(12(2,3)11(8)13)7-10-14-4-5-15-10/h8-11,13H,4-7H2,1-3H3/t8-,9+,11+/m0/s1
InChIKeyHHXQDHBNIFRKGI-IQJOONFLSA-N
XLogP1.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,3R,5S)-3-(1,3-dioxolan-2-ylmethyl)-2,2,5-trimethylcyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1r,3r,4s)-2-((3,4-Epoxy-2,2,4-trimethylcyclopentyl)methyl)-1,3-dioxolan
CID 15143258
2-((3-Hydroxy-2,2,3,4-tetramethylcyclopentyl)methyl)-1,3-dioxolan
CID 21603908
(1r,3r,4r)-2-((3-Hydroxy-2,2,4-trimethylcyclopentyl)methyl)-1,3-dioxolan
CID 15143309
(1r,3s,4r)-2-((3-Hydroxy-2,2,4-trimethylcyclopentyl)methyl)-1,3-dioxolan
CID 15143310
(1r,3s,4s)-2-((3-Hydroxy-2,2,4-trimethylcyclopentyl)methyl)-1,3-dioxolan
CID 15143311
(1'R,3'aR,9'R,9'aR)-1',8',8'-trimethylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7,9,9a-octahydro-1H-cyclopenta[8]annulene]-9'-ol
CID 139057880
(1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol
CID 154720137
Cyclopentane, 1-(S)-(2-methyl-1,3-dioxolan-2-yl)-2-(R)-(2-hydroxyethyl)-4-(R)-(2-methoxyethoxymethoxy)-
CID 560113
(1R,3aS,5R,6aR)-5-(2-methoxyethoxymethoxy)-1-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
CID 10267037
(1S,2S,4R)-1-(1,3-dioxolan-2-ylmethyl)-4-methoxy-2,3,3-trimethylcyclopentane-1,2-diol
CID 21580142
(1'S,2'S,3'aS,6'aR)-1'-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol
CID 130763756
2'-Butylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol
CID 12581341

Frequently Asked Questions

What is the IUPAC name of (1R,3R,5S)-3-(1,3-dioxolan-2-ylmethyl)-2,2,5-trimethylcyclopentan-1-ol?
The IUPAC name of (1R,3R,5S)-3-(1,3-dioxolan-2-ylmethyl)-2,2,5-trimethylcyclopentan-1-ol (CID 15143308) is (1R,3R,5S)-3-(1,3-dioxolan-2-ylmethyl)-2,2,5-trimethylcyclopentan-1-ol.
What is the SMILES notation for (1R,3R,5S)-3-(1,3-dioxolan-2-ylmethyl)-2,2,5-trimethylcyclopentan-1-ol?
The canonical SMILES for (1R,3R,5S)-3-(1,3-dioxolan-2-ylmethyl)-2,2,5-trimethylcyclopentan-1-ol is C[C@H]1C[C@H](CC2OCCO2)C(C)(C)[C@@H]1O.
What is the InChIKey of (1R,3R,5S)-3-(1,3-dioxolan-2-ylmethyl)-2,2,5-trimethylcyclopentan-1-ol?
The InChIKey is HHXQDHBNIFRKGI-IQJOONFLSA-N. The full InChI is InChI=1S/C12H22O3/c1-8-6-9(12(2,3)11(8)13)7-10-14-4-5-15-10/h8-11,13H,4-7H2,1-3H3/t8-,9+,11+/m0/s1.
What are the key properties of (1R,3R,5S)-3-(1,3-dioxolan-2-ylmethyl)-2,2,5-trimethylcyclopentan-1-ol?
(1R,3R,5S)-3-(1,3-dioxolan-2-ylmethyl)-2,2,5-trimethylcyclopentan-1-ol has a molecular weight of 214.30 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5S)-3-(1,3-dioxolan-2-ylmethyl)-2,2,5-trimethylcyclopentan-1-ol is sourced from PubChem (CID 15143308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).