2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol

C11H22O3 — CID 151976958

IUPAC2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
SMILESCC(C)CC(C)(O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H22O3/c1-8(2)6-11(5,12)9-7-13-10(3,4)14-9/h8-9,12H,6-7H2,1-5H3/t9-,11?/m1/s1
InChIKeyUBVYMODYLWAOHP-BFHBGLAWSA-N
MW202.29 g/mol
LogP1.93
Rot. Bonds3

About 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol

2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol (PubChem CID 151976958) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol.

Molecular Properties

Compound Name2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
PubChem CID151976958
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
SMILESCC(C)CC(C)(O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H22O3/c1-8(2)6-11(5,12)9-7-13-10(3,4)14-9/h8-9,12H,6-7H2,1-5H3/t9-,11?/m1/s1
InChIKeyUBVYMODYLWAOHP-BFHBGLAWSA-N
XLogP1.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methylhept-5-en-2-ol
CID 11470214
2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid
CID 69412912
(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl](313C)but-3-yne-1,2-diol
CID 11148148
methyl (2S,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylbutanoate
CID 72548059
(Z,2R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyltetradec-3-ene-1,5-diol
CID 135048432
(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-4-yn-3-ol
CID 101142461
2-(2,4-dimethylpentan-2-yl)-1,8-dioxaspiro[3.4]octane
CID 91407025
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
2,2-dimethyl-4-[(2-methyl-4-propan-2-yloxypentan-2-yl)oxymethyl]-1,3-dioxolane
CID 143366601
(4S)-2,2-dimethyl-4-(2-methylbutan-2-yl)-1,3-dioxane
CID 141061915
(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3R)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol
CID 102044354
(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 122451653

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol?
The IUPAC name of 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol (CID 151976958) is 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol.
What is the SMILES notation for 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol?
The canonical SMILES for 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol is CC(C)CC(C)(O)[C@H]1COC(C)(C)O1.
What is the InChIKey of 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol?
The InChIKey is UBVYMODYLWAOHP-BFHBGLAWSA-N. The full InChI is InChI=1S/C11H22O3/c1-8(2)6-11(5,12)9-7-13-10(3,4)14-9/h8-9,12H,6-7H2,1-5H3/t9-,11?/m1/s1.
What are the key properties of 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol?
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol has a molecular weight of 202.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol is sourced from PubChem (CID 151976958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).