1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-ol

C10H20O3 — CID 57409905

IUPAC1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-ol
SMILESCCCC(O)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H20O3/c1-4-5-8(11)6-9-7-12-10(2,3)13-9/h8-9,11H,4-7H2,1-3H3/t8?,9-/m0/s1
InChIKeyKUFDEAIPVGEAIM-GKAPJAKFSA-N
MW188.27 g/mol
LogP1.69
Rot. Bonds4

About 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-ol

1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-ol (PubChem CID 57409905) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-ol.

Molecular Properties

Compound Name1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-ol
PubChem CID57409905
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-ol
SMILESCCCC(O)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H20O3/c1-4-5-8(11)6-9-7-12-10(2,3)13-9/h8-9,11H,4-7H2,1-3H3/t8?,9-/m0/s1
InChIKeyKUFDEAIPVGEAIM-GKAPJAKFSA-N
XLogP1.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
1,3-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol
CID 20700280
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-trihexylphosphanium
CID 177451904
(2R)-1-butylsulfanyl-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropane-1-selone
CID 100969108
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-propylpentanoate;ethane
CID 142383371
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propylpentanamide
CID 103842930
(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropentan-3-one
CID 135010323
(2S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)butane-2-sulfonic acid
CID 174649690
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropan-2-ol
CID 10869218
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
CID 59058282
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-ol?
The IUPAC name of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-ol (CID 57409905) is 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-ol.
What is the SMILES notation for 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-ol?
The canonical SMILES for 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-ol is CCCC(O)C[C@H]1COC(C)(C)O1.
What is the InChIKey of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-ol?
The InChIKey is KUFDEAIPVGEAIM-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-5-8(11)6-9-7-12-10(2,3)13-9/h8-9,11H,4-7H2,1-3H3/t8?,9-/m0/s1.
What are the key properties of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-ol?
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-ol has a molecular weight of 188.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-ol is sourced from PubChem (CID 57409905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).