(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-en-1-ol

C9H16O3 — CID 10931889

IUPAC(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-en-1-ol
SMILESC=C(C)[C@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C9H16O3/c1-6(2)8(10)7-5-11-9(3,4)12-7/h7-8,10H,1,5H2,2-4H3/t7-,8+/m1/s1
InChIKeyDUWQIIKRGGFFSW-SFYZADRCSA-N
MW172.22 g/mol
LogP1.07
Rot. Bonds2

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

(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-en-1-ol (PubChem CID 10931889) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-en-1-ol
PubChem CID10931889
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-en-1-ol
SMILESC=C(C)[C@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C9H16O3/c1-6(2)8(10)7-5-11-9(3,4)12-7/h7-8,10H,1,5H2,2-4H3/t7-,8+/m1/s1
InChIKeyDUWQIIKRGGFFSW-SFYZADRCSA-N
XLogP1.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.07
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

(1S)-1-[(4S,5S)-5-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10899994
(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 11321231
2,2-Dimethyl-alpha-2-propenyl-1,3-dioxolane-4-methanol
CID 12641532
(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10583056
[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 10607289
1-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
CID 10419437
1-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
CID 10920779
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 10920969
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 11229054
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-3-en-1-ol
CID 53465510
[(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 12190813
1,2-Dideoxy-4,5-O-(1-methylethylidene)pent-1-enitol
CID 13723233

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-en-1-ol?
The IUPAC name of (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-en-1-ol (CID 10931889) is (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-en-1-ol.
What is the SMILES notation for (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-en-1-ol?
The canonical SMILES for (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-en-1-ol is C=C(C)[C@H](O)[C@H]1COC(C)(C)O1.
What is the InChIKey of (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-en-1-ol?
The InChIKey is DUWQIIKRGGFFSW-SFYZADRCSA-N. The full InChI is InChI=1S/C9H16O3/c1-6(2)8(10)7-5-11-9(3,4)12-7/h7-8,10H,1,5H2,2-4H3/t7-,8+/m1/s1.
What are the key properties of (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-en-1-ol?
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-en-1-ol has a molecular weight of 172.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-en-1-ol is sourced from PubChem (CID 10931889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).