4-[(2R,4S)-2-methoxy-5-methylideneoxan-4-yl]butan-2-ol

C11H20O3 — CID 10536040

IUPAC4-[(2R,4S)-2-methoxy-5-methylideneoxan-4-yl]butan-2-ol
SMILESC=C1CO[C@@H](OC)C[C@@H]1CCC(C)O
InChIInChI=1S/C11H20O3/c1-8-7-14-11(13-3)6-10(8)5-4-9(2)12/h9-12H,1,4-7H2,2-3H3/t9?,10-,11+/m0/s1
InChIKeyYTEIPRFQGDALLQ-QXXIUIOUSA-N
MW200.28 g/mol
LogP1.71
Rot. Bonds4

About 4-[(2R,4S)-2-methoxy-5-methylideneoxan-4-yl]butan-2-ol

4-[(2R,4S)-2-methoxy-5-methylideneoxan-4-yl]butan-2-ol (PubChem CID 10536040) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-[(2R,4S)-2-methoxy-5-methylideneoxan-4-yl]butan-2-ol.

Molecular Properties

Compound Name4-[(2R,4S)-2-methoxy-5-methylideneoxan-4-yl]butan-2-ol
PubChem CID10536040
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name4-[(2R,4S)-2-methoxy-5-methylideneoxan-4-yl]butan-2-ol
SMILESC=C1CO[C@@H](OC)C[C@@H]1CCC(C)O
InChIInChI=1S/C11H20O3/c1-8-7-14-11(13-3)6-10(8)5-4-9(2)12/h9-12H,1,4-7H2,2-3H3/t9?,10-,11+/m0/s1
InChIKeyYTEIPRFQGDALLQ-QXXIUIOUSA-N
XLogP1.71
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 ≤ 51.71
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

(2R)-2-[(4R,5S)-2,5-dimethyl-1,3-dioxan-4-yl]pent-4-en-1-ol
CID 58795447
4-(2,5-Dimethyl-1,3-dioxan-4-yl)-2-methylpent-1-en-3-ol
CID 58822546
2-(1,3-Dioxan-5-ylmethyl)pent-1-en-3-ol
CID 70612104
4-[(1R)-1-hydroxyethyl]-1-propan-2-yloxyoct-7-ene-1,7-diol
CID 90224129
6-Ethenyl-4-methoxy-5-methyloxan-2-ol
CID 91529729
6-Ethenyl-4-methyloxan-2-ol
CID 141812419
2-(4,8-Dimethylnon-7-enoxy)oxan-4-ol
CID 144591250
2-Ethyl-6-methoxy-3-methyl-5-prop-1-en-2-yloxan-4-ol
CID 146359272
(2R,4R,6S)-4-methoxy-4,6-dimethyl-5-methylideneoxan-2-ol
CID 148281978
(2R,6S)-4,4,6-trimethyl-5-methylideneoxan-2-ol
CID 161441050
2-Ethyl-6-(3-propylhex-1-en-2-yloxy)oxan-4-ol
CID 166943996
1-[4,4-Dimethyl-3-(oxan-2-yloxymethyl)cyclobuta-1,2-dien-1-yl]propan-1-ol
CID 176074088

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,4S)-2-methoxy-5-methylideneoxan-4-yl]butan-2-ol?
The IUPAC name of 4-[(2R,4S)-2-methoxy-5-methylideneoxan-4-yl]butan-2-ol (CID 10536040) is 4-[(2R,4S)-2-methoxy-5-methylideneoxan-4-yl]butan-2-ol.
What is the SMILES notation for 4-[(2R,4S)-2-methoxy-5-methylideneoxan-4-yl]butan-2-ol?
The canonical SMILES for 4-[(2R,4S)-2-methoxy-5-methylideneoxan-4-yl]butan-2-ol is C=C1CO[C@@H](OC)C[C@@H]1CCC(C)O.
What is the InChIKey of 4-[(2R,4S)-2-methoxy-5-methylideneoxan-4-yl]butan-2-ol?
The InChIKey is YTEIPRFQGDALLQ-QXXIUIOUSA-N. The full InChI is InChI=1S/C11H20O3/c1-8-7-14-11(13-3)6-10(8)5-4-9(2)12/h9-12H,1,4-7H2,2-3H3/t9?,10-,11+/m0/s1.
What are the key properties of 4-[(2R,4S)-2-methoxy-5-methylideneoxan-4-yl]butan-2-ol?
4-[(2R,4S)-2-methoxy-5-methylideneoxan-4-yl]butan-2-ol has a molecular weight of 200.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,4S)-2-methoxy-5-methylideneoxan-4-yl]butan-2-ol is sourced from PubChem (CID 10536040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).