(3R)-4-methoxy-3-[(2R)-1-methoxybut-3-en-2-yl]oxybut-1-ene

C10H18O3 — CID 124562631

IUPAC(3R)-4-methoxy-3-[(2R)-1-methoxybut-3-en-2-yl]oxybut-1-ene
SMILESC=C[C@H](COC)O[C@H](C=C)COC
InChIInChI=1S/C10H18O3/c1-5-9(7-11-3)13-10(6-2)8-12-4/h5-6,9-10H,1-2,7-8H2,3-4H3/t9-,10-/m1/s1
InChIKeyXFBBTMNLNKRQHL-NXEZZACHSA-N
MW186.25 g/mol
LogP1.40
Rot. Bonds8

About (3R)-4-methoxy-3-[(2R)-1-methoxybut-3-en-2-yl]oxybut-1-ene

(3R)-4-methoxy-3-[(2R)-1-methoxybut-3-en-2-yl]oxybut-1-ene (PubChem CID 124562631) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3R)-4-methoxy-3-[(2R)-1-methoxybut-3-en-2-yl]oxybut-1-ene.

Molecular Properties

Compound Name(3R)-4-methoxy-3-[(2R)-1-methoxybut-3-en-2-yl]oxybut-1-ene
PubChem CID124562631
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(3R)-4-methoxy-3-[(2R)-1-methoxybut-3-en-2-yl]oxybut-1-ene
SMILESC=C[C@H](COC)O[C@H](C=C)COC
InChIInChI=1S/C10H18O3/c1-5-9(7-11-3)13-10(6-2)8-12-4/h5-6,9-10H,1-2,7-8H2,3-4H3/t9-,10-/m1/s1
InChIKeyXFBBTMNLNKRQHL-NXEZZACHSA-N
XLogP1.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-4-methoxy-3-(2-nitrosoethoxy)but-1-ene
CID 91068700
3-(methoxymethyl)pent-1-ene
CID 54004268
3-hexa-1,5-dien-3-yloxyhexa-1,5-diene;hydrochloride
CID 174646215
3-oct-1-en-3-yloxyoct-1-ene
CID 21413587
(2S)-2,3-dimethoxypropanal
CID 12962856
(2R)-2,3-dimethoxypropanal
CID 12962855
1-methoxy-2-(1-methoxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropane
CID 22498090
5-methoxypent-1-en-3-yl dihydrogen phosphate
CID 175476467
1-methoxypropan-2-ol;tris(prop-1-ene)
CID 162146240
5-methoxy-4-(methoxymethyl)hex-1-ene
CID 89049171
N-but-3-en-2-yl-1-methoxypentan-2-amine
CID 107907040
1,2-dimethoxyethane;tris(prop-1-ene)
CID 159658676

Frequently Asked Questions

What is the IUPAC name of (3R)-4-methoxy-3-[(2R)-1-methoxybut-3-en-2-yl]oxybut-1-ene?
The IUPAC name of (3R)-4-methoxy-3-[(2R)-1-methoxybut-3-en-2-yl]oxybut-1-ene (CID 124562631) is (3R)-4-methoxy-3-[(2R)-1-methoxybut-3-en-2-yl]oxybut-1-ene.
What is the SMILES notation for (3R)-4-methoxy-3-[(2R)-1-methoxybut-3-en-2-yl]oxybut-1-ene?
The canonical SMILES for (3R)-4-methoxy-3-[(2R)-1-methoxybut-3-en-2-yl]oxybut-1-ene is C=C[C@H](COC)O[C@H](C=C)COC.
What is the InChIKey of (3R)-4-methoxy-3-[(2R)-1-methoxybut-3-en-2-yl]oxybut-1-ene?
The InChIKey is XFBBTMNLNKRQHL-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-9(7-11-3)13-10(6-2)8-12-4/h5-6,9-10H,1-2,7-8H2,3-4H3/t9-,10-/m1/s1.
What are the key properties of (3R)-4-methoxy-3-[(2R)-1-methoxybut-3-en-2-yl]oxybut-1-ene?
(3R)-4-methoxy-3-[(2R)-1-methoxybut-3-en-2-yl]oxybut-1-ene has a molecular weight of 186.25 g/mol, XLogP of 1.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-methoxy-3-[(2R)-1-methoxybut-3-en-2-yl]oxybut-1-ene is sourced from PubChem (CID 124562631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).