2-[(2R,3R,4R)-4-ethoxy-2-methoxy-7-methylideneoxepan-3-yl]ethanol

C12H22O4 — CID 89338542

IUPAC2-[(2R,3R,4R)-4-ethoxy-2-methoxy-7-methylideneoxepan-3-yl]ethanol
SMILESC=C1CC[C@@H](OCC)[C@@H](CCO)[C@H](OC)O1
InChIInChI=1S/C12H22O4/c1-4-15-11-6-5-9(2)16-12(14-3)10(11)7-8-13/h10-13H,2,4-8H2,1,3H3/t10-,11-,12-/m1/s1
InChIKeyCPGDLSASLDYTHT-IJLUTSLNSA-N
MW230.30 g/mol
LogP1.69
Rot. Bonds5

About 2-[(2R,3R,4R)-4-ethoxy-2-methoxy-7-methylideneoxepan-3-yl]ethanol

2-[(2R,3R,4R)-4-ethoxy-2-methoxy-7-methylideneoxepan-3-yl]ethanol (PubChem CID 89338542) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-[(2R,3R,4R)-4-ethoxy-2-methoxy-7-methylideneoxepan-3-yl]ethanol.

Molecular Properties

Compound Name2-[(2R,3R,4R)-4-ethoxy-2-methoxy-7-methylideneoxepan-3-yl]ethanol
PubChem CID89338542
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2-[(2R,3R,4R)-4-ethoxy-2-methoxy-7-methylideneoxepan-3-yl]ethanol
SMILESC=C1CC[C@@H](OCC)[C@@H](CCO)[C@H](OC)O1
InChIInChI=1S/C12H22O4/c1-4-15-11-6-5-9(2)16-12(14-3)10(11)7-8-13/h10-13H,2,4-8H2,1,3H3/t10-,11-,12-/m1/s1
InChIKeyCPGDLSASLDYTHT-IJLUTSLNSA-N
XLogP1.69
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R,3R,4R)-4-ethoxy-2-methoxy-7-methylideneoxepan-3-yl]ethanol with MolForge

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Related Compounds

4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol
CID 54169558
(3S,4R)-4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol
CID 10329588
2-[(1R,3S,4S,5R)-3-methoxy-2-oxabicyclo[3.1.0]hexan-4-yl]ethanol
CID 23727465
[(2R,3S,4S)-2,4-diethoxyoxolan-3-yl]methanol
CID 162918830
(2-ethoxycyclopropyl)methanol
CID 13465027
2-methoxy-5-methylideneoxolan-3-amine
CID 59957210
2-(5-ethylidene-6-methylideneoxan-2-yl)ethanol
CID 123384994
prop-2-enyl (2S,3R,4R)-4-cyclobutyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylate
CID 23902952
ethane-1,2-diol;methoxycyclopropane
CID 174681664
trans-(1R,2R)-1,2-diethoxycyclohexane
CID 13170081
2-[2-ethoxy-5-(2-hydroxyethyl)-1,3-dioxolan-4-yl]ethanol
CID 69494660
3-methyl-6-methylideneoxan-2-ol
CID 59696806

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4R)-4-ethoxy-2-methoxy-7-methylideneoxepan-3-yl]ethanol?
The IUPAC name of 2-[(2R,3R,4R)-4-ethoxy-2-methoxy-7-methylideneoxepan-3-yl]ethanol (CID 89338542) is 2-[(2R,3R,4R)-4-ethoxy-2-methoxy-7-methylideneoxepan-3-yl]ethanol.
What is the SMILES notation for 2-[(2R,3R,4R)-4-ethoxy-2-methoxy-7-methylideneoxepan-3-yl]ethanol?
The canonical SMILES for 2-[(2R,3R,4R)-4-ethoxy-2-methoxy-7-methylideneoxepan-3-yl]ethanol is C=C1CC[C@@H](OCC)[C@@H](CCO)[C@H](OC)O1.
What is the InChIKey of 2-[(2R,3R,4R)-4-ethoxy-2-methoxy-7-methylideneoxepan-3-yl]ethanol?
The InChIKey is CPGDLSASLDYTHT-IJLUTSLNSA-N. The full InChI is InChI=1S/C12H22O4/c1-4-15-11-6-5-9(2)16-12(14-3)10(11)7-8-13/h10-13H,2,4-8H2,1,3H3/t10-,11-,12-/m1/s1.
What are the key properties of 2-[(2R,3R,4R)-4-ethoxy-2-methoxy-7-methylideneoxepan-3-yl]ethanol?
2-[(2R,3R,4R)-4-ethoxy-2-methoxy-7-methylideneoxepan-3-yl]ethanol has a molecular weight of 230.30 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4R)-4-ethoxy-2-methoxy-7-methylideneoxepan-3-yl]ethanol is sourced from PubChem (CID 89338542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).