7-[1-(methoxymethoxy)hex-5-en-3-yl]tetradec-7-ene

C22H42O2 — CID 173395641

IUPAC7-[1-(methoxymethoxy)hex-5-en-3-yl]tetradec-7-ene
SMILESC=CCC(CCOCOC)C(=CCCCCCC)CCCCCC
InChIInChI=1S/C22H42O2/c1-5-8-10-12-14-17-22(16-13-11-9-6-2)21(15-7-3)18-19-24-20-23-4/h7,17,21H,3,5-6,8-16,18-20H2,1-2,4H3
InChIKeyTUMHDFUBHMNURP-UHFFFAOYSA-N
MW338.58 g/mol
LogP7.06
Rot. Bonds18

About 7-[1-(methoxymethoxy)hex-5-en-3-yl]tetradec-7-ene

7-[1-(methoxymethoxy)hex-5-en-3-yl]tetradec-7-ene (PubChem CID 173395641) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is 7-[1-(methoxymethoxy)hex-5-en-3-yl]tetradec-7-ene.

Molecular Properties

Compound Name7-[1-(methoxymethoxy)hex-5-en-3-yl]tetradec-7-ene
PubChem CID173395641
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name7-[1-(methoxymethoxy)hex-5-en-3-yl]tetradec-7-ene
SMILESC=CCC(CCOCOC)C(=CCCCCCC)CCCCCC
InChIInChI=1S/C22H42O2/c1-5-8-10-12-14-17-22(16-13-11-9-6-2)21(15-7-3)18-19-24-20-23-4/h7,17,21H,3,5-6,8-16,18-20H2,1-2,4H3
InChIKeyTUMHDFUBHMNURP-UHFFFAOYSA-N
XLogP7.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(methoxymethoxy)hex-5-en-3-yl]tetradec-7-ene?
The IUPAC name of 7-[1-(methoxymethoxy)hex-5-en-3-yl]tetradec-7-ene (CID 173395641) is 7-[1-(methoxymethoxy)hex-5-en-3-yl]tetradec-7-ene.
What is the SMILES notation for 7-[1-(methoxymethoxy)hex-5-en-3-yl]tetradec-7-ene?
The canonical SMILES for 7-[1-(methoxymethoxy)hex-5-en-3-yl]tetradec-7-ene is C=CCC(CCOCOC)C(=CCCCCCC)CCCCCC.
What is the InChIKey of 7-[1-(methoxymethoxy)hex-5-en-3-yl]tetradec-7-ene?
The InChIKey is TUMHDFUBHMNURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2/c1-5-8-10-12-14-17-22(16-13-11-9-6-2)21(15-7-3)18-19-24-20-23-4/h7,17,21H,3,5-6,8-16,18-20H2,1-2,4H3.
What are the key properties of 7-[1-(methoxymethoxy)hex-5-en-3-yl]tetradec-7-ene?
7-[1-(methoxymethoxy)hex-5-en-3-yl]tetradec-7-ene has a molecular weight of 338.58 g/mol, XLogP of 7.06, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(methoxymethoxy)hex-5-en-3-yl]tetradec-7-ene is sourced from PubChem (CID 173395641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).