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

C11H20O3 — CID 10703203

IUPAC[(4R,5S)-5-ethyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
SMILESC=CC[C@]1(CC)OC(C)(C)O[C@@H]1CO
InChIInChI=1S/C11H20O3/c1-5-7-11(6-2)9(8-12)13-10(3,4)14-11/h5,9,12H,1,6-8H2,2-4H3/t9-,11+/m1/s1
InChIKeyUOLCEPNJLMIQHO-KOLCDFICSA-N
MW200.28 g/mol
LogP1.86
Rot. Bonds4

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

[(4R,5S)-5-ethyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol (PubChem CID 10703203) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is [(4R,5S)-5-ethyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4R,5S)-5-ethyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
PubChem CID10703203
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name[(4R,5S)-5-ethyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
SMILESC=CC[C@]1(CC)OC(C)(C)O[C@@H]1CO
InChIInChI=1S/C11H20O3/c1-5-7-11(6-2)9(8-12)13-10(3,4)14-11/h5,9,12H,1,6-8H2,2-4H3/t9-,11+/m1/s1
InChIKeyUOLCEPNJLMIQHO-KOLCDFICSA-N
XLogP1.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

(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
(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
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
(5-Allyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 21061831
(1R,2R)-2-methyl-1-((R)-1,4-dioxaspiro[4.5]decan-2-yl)but-3-en-1-ol
CID 10513443
(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
CID 10888665

Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-5-ethyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4R,5S)-5-ethyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol (CID 10703203) is [(4R,5S)-5-ethyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4R,5S)-5-ethyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4R,5S)-5-ethyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol is C=CC[C@]1(CC)OC(C)(C)O[C@@H]1CO.
What is the InChIKey of [(4R,5S)-5-ethyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is UOLCEPNJLMIQHO-KOLCDFICSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-7-11(6-2)9(8-12)13-10(3,4)14-11/h5,9,12H,1,6-8H2,2-4H3/t9-,11+/m1/s1.
What are the key properties of [(4R,5S)-5-ethyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol?
[(4R,5S)-5-ethyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 200.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-5-ethyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 10703203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).