(2Z)-2,3-diethyl-1,4,7,10-tetraoxacyclododec-2-ene

C12H22O4 — CID 118400698

IUPAC(2Z)-2,3-diethyl-1,4,7,10-tetraoxacyclododec-2-ene
SMILESCC/C1=C(\CC)OCCOCCOCCO1
InChIInChI=1S/C12H22O4/c1-3-11-12(4-2)16-10-8-14-6-5-13-7-9-15-11/h3-10H2,1-2H3/b12-11-
InChIKeyCCQPCUJKUQSVCS-QXMHVHEDSA-N
MW230.30 g/mol
LogP2.10
Rot. Bonds2

About (2Z)-2,3-diethyl-1,4,7,10-tetraoxacyclododec-2-ene

(2Z)-2,3-diethyl-1,4,7,10-tetraoxacyclododec-2-ene (PubChem CID 118400698) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is (2Z)-2,3-diethyl-1,4,7,10-tetraoxacyclododec-2-ene.

Molecular Properties

Compound Name(2Z)-2,3-diethyl-1,4,7,10-tetraoxacyclododec-2-ene
PubChem CID118400698
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name(2Z)-2,3-diethyl-1,4,7,10-tetraoxacyclododec-2-ene
SMILESCC/C1=C(\CC)OCCOCCOCCO1
InChIInChI=1S/C12H22O4/c1-3-11-12(4-2)16-10-8-14-6-5-13-7-9-15-11/h3-10H2,1-2H3/b12-11-
InChIKeyCCQPCUJKUQSVCS-QXMHVHEDSA-N
XLogP2.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2,3-diethyl-1,4,7,10-tetraoxacyclododec-2-ene?
The IUPAC name of (2Z)-2,3-diethyl-1,4,7,10-tetraoxacyclododec-2-ene (CID 118400698) is (2Z)-2,3-diethyl-1,4,7,10-tetraoxacyclododec-2-ene.
What is the SMILES notation for (2Z)-2,3-diethyl-1,4,7,10-tetraoxacyclododec-2-ene?
The canonical SMILES for (2Z)-2,3-diethyl-1,4,7,10-tetraoxacyclododec-2-ene is CC/C1=C(\CC)OCCOCCOCCO1.
What is the InChIKey of (2Z)-2,3-diethyl-1,4,7,10-tetraoxacyclododec-2-ene?
The InChIKey is CCQPCUJKUQSVCS-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H22O4/c1-3-11-12(4-2)16-10-8-14-6-5-13-7-9-15-11/h3-10H2,1-2H3/b12-11-.
What are the key properties of (2Z)-2,3-diethyl-1,4,7,10-tetraoxacyclododec-2-ene?
(2Z)-2,3-diethyl-1,4,7,10-tetraoxacyclododec-2-ene has a molecular weight of 230.30 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2,3-diethyl-1,4,7,10-tetraoxacyclododec-2-ene is sourced from PubChem (CID 118400698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).