(5E)-5-(methoxymethylidene)-2-pentyloxane

C12H22O2 — CID 143335212

IUPAC(5E)-5-(methoxymethylidene)-2-pentyloxane
SMILESCCCCCC1CC/C(=C\OC)CO1
InChIInChI=1S/C12H22O2/c1-3-4-5-6-12-8-7-11(9-13-2)10-14-12/h9,12H,3-8,10H2,1-2H3/b11-9+
InChIKeyPDRRDQBSFAKREN-PKNBQFBNSA-N
MW198.31 g/mol
LogP3.28
Rot. Bonds5

About (5E)-5-(methoxymethylidene)-2-pentyloxane

(5E)-5-(methoxymethylidene)-2-pentyloxane (PubChem CID 143335212) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (5E)-5-(methoxymethylidene)-2-pentyloxane.

Molecular Properties

Compound Name(5E)-5-(methoxymethylidene)-2-pentyloxane
PubChem CID143335212
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(5E)-5-(methoxymethylidene)-2-pentyloxane
SMILESCCCCCC1CC/C(=C\OC)CO1
InChIInChI=1S/C12H22O2/c1-3-4-5-6-12-8-7-11(9-13-2)10-14-12/h9,12H,3-8,10H2,1-2H3/b11-9+
InChIKeyPDRRDQBSFAKREN-PKNBQFBNSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Prop-1-en-2-yloxane
CID 68849969
2-Hept-1-en-2-yloxane
CID 70645400
2-But-1-en-2-yloxane
CID 70645401
2-(4-Methylpent-1-en-2-yl)oxane
CID 70645404
5-Methylidene-2-pentyloxane
CID 118489514
5-hexyl-2,2-dimethyl-4H-1,3-dioxine
CID 11356074
(2S,3R)-2-but-3-enyl-3-(2-methylprop-2-enoxy)oxane
CID 102446890
2-Methyl-5-pentyl-3,4-dihydro-2h-pyran
CID 129776342
3,6-Bis(1-ethoxyethyl)octa-1,2,6,7-tetraene
CID 10610711
2-(3-Methylbut-1-en-2-yl)oxane
CID 21856062
(2S,4S,5S)-4-methoxy-5-methyl-3-methoxymethylene-2-nonyltetrahydro-2H-pyran
CID 57150748
4-(Methoxymethylidene)-2,6-dimethyloxane
CID 58424345

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(methoxymethylidene)-2-pentyloxane?
The IUPAC name of (5E)-5-(methoxymethylidene)-2-pentyloxane (CID 143335212) is (5E)-5-(methoxymethylidene)-2-pentyloxane.
What is the SMILES notation for (5E)-5-(methoxymethylidene)-2-pentyloxane?
The canonical SMILES for (5E)-5-(methoxymethylidene)-2-pentyloxane is CCCCCC1CC/C(=C\OC)CO1.
What is the InChIKey of (5E)-5-(methoxymethylidene)-2-pentyloxane?
The InChIKey is PDRRDQBSFAKREN-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-4-5-6-12-8-7-11(9-13-2)10-14-12/h9,12H,3-8,10H2,1-2H3/b11-9+.
What are the key properties of (5E)-5-(methoxymethylidene)-2-pentyloxane?
(5E)-5-(methoxymethylidene)-2-pentyloxane has a molecular weight of 198.31 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(methoxymethylidene)-2-pentyloxane is sourced from PubChem (CID 143335212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).