[(4R,5R)-2,2-dimethyl-5-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol

C12H20O3 — CID 10822436

IUPAC[(4R,5R)-2,2-dimethyl-5-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
SMILESC=CC[C@]1(C(=C)C)OC(C)(C)O[C@@H]1CO
InChIInChI=1S/C12H20O3/c1-6-7-12(9(2)3)10(8-13)14-11(4,5)15-12/h6,10,13H,1-2,7-8H2,3-5H3/t10-,12-/m1/s1
InChIKeyDJXRRKQIYAADKK-ZYHUDNBSSA-N
MW212.29 g/mol
LogP2.02
Rot. Bonds4

About [(4R,5R)-2,2-dimethyl-5-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol

[(4R,5R)-2,2-dimethyl-5-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol (PubChem CID 10822436) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is [(4R,5R)-2,2-dimethyl-5-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4R,5R)-2,2-dimethyl-5-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
PubChem CID10822436
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name[(4R,5R)-2,2-dimethyl-5-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
SMILESC=CC[C@]1(C(=C)C)OC(C)(C)O[C@@H]1CO
InChIInChI=1S/C12H20O3/c1-6-7-12(9(2)3)10(8-13)14-11(4,5)15-12/h6,10,13H,1-2,7-8H2,3-5H3/t10-,12-/m1/s1
InChIKeyDJXRRKQIYAADKK-ZYHUDNBSSA-N
XLogP2.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(4R,5R)-2,2-dimethyl-5-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol with MolForge

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Related Compounds

(4R,5S)-(2,2-Dimethyl-5-vinyl-1,3-dioxolan-4-YL)methan-1-OL
CID 11051924
(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
[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 10607289
[(4R)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 14190096
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 10920969
(R)-1-((4R,5S)-2,2-Dimethyl-5-vinyl-1,3-dioxolan-4-yl)ethane-1,2-diol
CID 11063164
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 11229054
[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 11240632
1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 155185118
4-(2,2-Dimethyl-1,3-dioxolan-4-yl)hepta-1,6-dien-4-ol
CID 12186232
[(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 12190813

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-2,2-dimethyl-5-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4R,5R)-2,2-dimethyl-5-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol (CID 10822436) is [(4R,5R)-2,2-dimethyl-5-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4R,5R)-2,2-dimethyl-5-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4R,5R)-2,2-dimethyl-5-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol is C=CC[C@]1(C(=C)C)OC(C)(C)O[C@@H]1CO.
What is the InChIKey of [(4R,5R)-2,2-dimethyl-5-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is DJXRRKQIYAADKK-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H20O3/c1-6-7-12(9(2)3)10(8-13)14-11(4,5)15-12/h6,10,13H,1-2,7-8H2,3-5H3/t10-,12-/m1/s1.
What are the key properties of [(4R,5R)-2,2-dimethyl-5-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol?
[(4R,5R)-2,2-dimethyl-5-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 212.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-2,2-dimethyl-5-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 10822436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).