2-[(3R)-3-(methoxymethoxy)pent-4-enoxy]oxane

C12H22O4 — CID 134857158

IUPAC2-[(3R)-3-(methoxymethoxy)pent-4-enoxy]oxane
SMILESC=C[C@@H](CCOC1CCCCO1)OCOC
InChIInChI=1S/C12H22O4/c1-3-11(16-10-13-2)7-9-15-12-6-4-5-8-14-12/h3,11-12H,1,4-10H2,2H3/t11-,12?/m0/s1
InChIKeyAEFXOLISOYZQQV-PXYINDEMSA-N
MW230.30 g/mol
LogP2.09
Rot. Bonds8

About 2-[(3R)-3-(methoxymethoxy)pent-4-enoxy]oxane

2-[(3R)-3-(methoxymethoxy)pent-4-enoxy]oxane (PubChem CID 134857158) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-[(3R)-3-(methoxymethoxy)pent-4-enoxy]oxane.

Molecular Properties

Compound Name2-[(3R)-3-(methoxymethoxy)pent-4-enoxy]oxane
PubChem CID134857158
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2-[(3R)-3-(methoxymethoxy)pent-4-enoxy]oxane
SMILESC=C[C@@H](CCOC1CCCCO1)OCOC
InChIInChI=1S/C12H22O4/c1-3-11(16-10-13-2)7-9-15-12-6-4-5-8-14-12/h3,11-12H,1,4-10H2,2H3/t11-,12?/m0/s1
InChIKeyAEFXOLISOYZQQV-PXYINDEMSA-N
XLogP2.09
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(oxan-2-yloxy)pent-1-en-3-ol
CID 15194608
2-(4-bromohex-5-enoxy)oxane
CID 139711941
2-(3-methylpentoxy)oxane
CID 14309360
2-hept-1-en-3-yloxyoxane
CID 20796050
(2S)-2-pent-4-enoxyoxane
CID 58779863
2-(6-methylheptoxy)oxane
CID 139685112
2-[(4R)-4-(methoxymethoxy)octadec-9-ynoxy]oxane
CID 102157587
2-[5-[2-(methoxymethoxy)-3-(oxiran-2-ylmethoxy)propoxy]pentoxy]oxane
CID 166567769
2-[(3S,7R)-3,7,11-trimethyldodecoxy]oxane
CID 70570325
2-(10-prop-2-enoxytridecoxy)oxane
CID 11035223
2-oct-1-en-3-yloxyoxane
CID 10727282
2-[3-(2-methoxyethoxy)propoxy]oxane
CID 158704924

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(methoxymethoxy)pent-4-enoxy]oxane?
The IUPAC name of 2-[(3R)-3-(methoxymethoxy)pent-4-enoxy]oxane (CID 134857158) is 2-[(3R)-3-(methoxymethoxy)pent-4-enoxy]oxane.
What is the SMILES notation for 2-[(3R)-3-(methoxymethoxy)pent-4-enoxy]oxane?
The canonical SMILES for 2-[(3R)-3-(methoxymethoxy)pent-4-enoxy]oxane is C=C[C@@H](CCOC1CCCCO1)OCOC.
What is the InChIKey of 2-[(3R)-3-(methoxymethoxy)pent-4-enoxy]oxane?
The InChIKey is AEFXOLISOYZQQV-PXYINDEMSA-N. The full InChI is InChI=1S/C12H22O4/c1-3-11(16-10-13-2)7-9-15-12-6-4-5-8-14-12/h3,11-12H,1,4-10H2,2H3/t11-,12?/m0/s1.
What are the key properties of 2-[(3R)-3-(methoxymethoxy)pent-4-enoxy]oxane?
2-[(3R)-3-(methoxymethoxy)pent-4-enoxy]oxane has a molecular weight of 230.30 g/mol, XLogP of 2.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(methoxymethoxy)pent-4-enoxy]oxane is sourced from PubChem (CID 134857158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).