(1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol

C14H26O4 — CID 154720137

IUPAC(1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol
SMILESC[C@H](O)[C@@H]1C[C@H](C2(C)OCCO2)C(C)(C)[C@@H]1CO
InChIInChI=1S/C14H26O4/c1-9(16)10-7-12(13(2,3)11(10)8-15)14(4)17-5-6-18-14/h9-12,15-16H,5-8H2,1-4H3/t9-,10-,11+,12-/m0/s1
InChIKeyMZHMKUCOEMEPFW-YFKTTZPYSA-N
MW258.36 g/mol
LogP1.40
Rot. Bonds3

About (1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol

(1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol (PubChem CID 154720137) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is (1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol
PubChem CID154720137
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name(1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol
SMILESC[C@H](O)[C@@H]1C[C@H](C2(C)OCCO2)C(C)(C)[C@@H]1CO
InChIInChI=1S/C14H26O4/c1-9(16)10-7-12(13(2,3)11(10)8-15)14(4)17-5-6-18-14/h9-12,15-16H,5-8H2,1-4H3/t9-,10-,11+,12-/m0/s1
InChIKeyMZHMKUCOEMEPFW-YFKTTZPYSA-N
XLogP1.40
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol 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

(1S,2S,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-hydroxypropan-2-yl)-3-methylcyclobutan-1-ol
CID 11172601
2-((3-Hydroxy-2,2,3,4-tetramethylcyclopentyl)methyl)-1,3-dioxolan
CID 21603908
1,4-Dioxaspiro[4.4]nonane, 7,8-bis(hydroxymethyl)-
CID 593822
(1r,3r,4s)-2-((3-Hydroxy-2,2,4-trimethylcyclopentyl)methyl)-1,3-dioxolan
CID 15143308
(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
2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropan-1-ol
CID 154708000
(R)-1-((3aR,5R,6R,6aR)-3a-(2-hydroxyethyl)-5,6-dimethylhexahydro-2H-spiro[pentalene-1,2'-[1,3]dioxolan]-6-yl)pent-3-yn-1-ol
CID 164889759
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

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol?
The IUPAC name of (1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol (CID 154720137) is (1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol.
What is the SMILES notation for (1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol?
The canonical SMILES for (1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol is C[C@H](O)[C@@H]1C[C@H](C2(C)OCCO2)C(C)(C)[C@@H]1CO.
What is the InChIKey of (1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol?
The InChIKey is MZHMKUCOEMEPFW-YFKTTZPYSA-N. The full InChI is InChI=1S/C14H26O4/c1-9(16)10-7-12(13(2,3)11(10)8-15)14(4)17-5-6-18-14/h9-12,15-16H,5-8H2,1-4H3/t9-,10-,11+,12-/m0/s1.
What are the key properties of (1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol?
(1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol has a molecular weight of 258.36 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol is sourced from PubChem (CID 154720137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).