[(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol

C10H18O3 — CID 131089318

IUPAC[(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol
SMILESCC(C)=CC[C@]1(C)OC[C@H](CO)O1
InChIInChI=1S/C10H18O3/c1-8(2)4-5-10(3)12-7-9(6-11)13-10/h4,9,11H,5-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyHXYMGHVQVZTFMZ-VHSXEESVSA-N
MW186.25 g/mol
LogP1.47
Rot. Bonds3

About [(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol

[(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 131089318) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is [(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol
PubChem CID131089318
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name[(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol
SMILESCC(C)=CC[C@]1(C)OC[C@H](CO)O1
InChIInChI=1S/C10H18O3/c1-8(2)4-5-10(3)12-7-9(6-11)13-10/h4,9,11H,5-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyHXYMGHVQVZTFMZ-VHSXEESVSA-N
XLogP1.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 71445983
(2-hexyl-2-methyl-1,3-dioxolan-4-yl)methanol
CID 21868
(2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol
CID 58883730
(2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol
CID 130147634
[2-methyl-2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 117169312
(9-ethenyl-7-ethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol
CID 142146353
2,4-diethyl-2-methyl-1,3-dioxolane
CID 59435311
(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane
CID 67855478
[(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol
CID 99492998
[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
CID 10986806
[5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
CID 81218750
(2-methyl-5,8-dioxa-2-azaspiro[3.4]octan-7-yl)methanol
CID 22967026

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol (CID 131089318) is [(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol is CC(C)=CC[C@]1(C)OC[C@H](CO)O1.
What is the InChIKey of [(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is HXYMGHVQVZTFMZ-VHSXEESVSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(2)4-5-10(3)12-7-9(6-11)13-10/h4,9,11H,5-7H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of [(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol?
[(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 186.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 131089318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).