5-(methoxymethoxy)undec-1-en-2-ylsulfanylbenzene

C19H30O2S — CID 14172398

IUPAC5-(methoxymethoxy)undec-1-en-2-ylsulfanylbenzene
SMILESC=C(CCC(CCCCCC)OCOC)Sc1ccccc1
InChIInChI=1S/C19H30O2S/c1-4-5-6-8-11-18(21-16-20-3)15-14-17(2)22-19-12-9-7-10-13-19/h7,9-10,12-13,18H,2,4-6,8,11,14-16H2,1,3H3
InChIKeyCWNHCJUIQWKFAY-UHFFFAOYSA-N
MW322.51 g/mol
LogP6.03
Rot. Bonds13

About 5-(methoxymethoxy)undec-1-en-2-ylsulfanylbenzene

5-(methoxymethoxy)undec-1-en-2-ylsulfanylbenzene (PubChem CID 14172398) has the molecular formula C19H30O2S and a molecular weight of 322.51 g/mol. Its IUPAC name is 5-(methoxymethoxy)undec-1-en-2-ylsulfanylbenzene.

Molecular Properties

Compound Name5-(methoxymethoxy)undec-1-en-2-ylsulfanylbenzene
PubChem CID14172398
Molecular FormulaC19H30O2S
Molecular Weight322.51 g/mol
Exact Mass322.20
IUPAC Name5-(methoxymethoxy)undec-1-en-2-ylsulfanylbenzene
SMILESC=C(CCC(CCCCCC)OCOC)Sc1ccccc1
InChIInChI=1S/C19H30O2S/c1-4-5-6-8-11-18(21-16-20-3)15-14-17(2)22-19-12-9-7-10-13-19/h7,9-10,12-13,18H,2,4-6,8,11,14-16H2,1,3H3
InChIKeyCWNHCJUIQWKFAY-UHFFFAOYSA-N
XLogP6.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.51
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1-Methoxynonyl)sulfanyl]benzene
CID 9993101
(Phenylthio)acetic acid, 4-hexadecyl ester
CID 531734
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CID 10042669
(2S,4S,6R)-4-hexyl-6-phenylsulfanyl-2-propan-2-yl-1,3-dioxane
CID 10471396
16-(2-Methoxyethoxymethoxy)hexadec-1-ynylsulfanylbenzene
CID 13180995
[(1-Methoxypentadecyl)sulfanyl]benzene
CID 13215949
2-[10-Methoxy-10-(phenylsulfanyl)decyl]-2-methyl-1,3-dioxolane
CID 13215969
(R)-(2-Methoxyoctyl)(phenyl)sulfane
CID 85090303
((5S,6R)-6-Methoxydecan-5-yl)(phenyl)sulfane
CID 85090306
1-(Methoxymethoxy)-7-phenylsulfanylundeca-5,6-dien-4-one
CID 85833386
[5-(Ethoxymethoxy)cyclopenten-1-yl]sulfanylbenzene
CID 86034408
[6-(Ethoxymethoxy)cyclohexen-1-yl]sulfanylbenzene
CID 86034417

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethoxy)undec-1-en-2-ylsulfanylbenzene?
The IUPAC name of 5-(methoxymethoxy)undec-1-en-2-ylsulfanylbenzene (CID 14172398) is 5-(methoxymethoxy)undec-1-en-2-ylsulfanylbenzene.
What is the SMILES notation for 5-(methoxymethoxy)undec-1-en-2-ylsulfanylbenzene?
The canonical SMILES for 5-(methoxymethoxy)undec-1-en-2-ylsulfanylbenzene is C=C(CCC(CCCCCC)OCOC)Sc1ccccc1.
What is the InChIKey of 5-(methoxymethoxy)undec-1-en-2-ylsulfanylbenzene?
The InChIKey is CWNHCJUIQWKFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2S/c1-4-5-6-8-11-18(21-16-20-3)15-14-17(2)22-19-12-9-7-10-13-19/h7,9-10,12-13,18H,2,4-6,8,11,14-16H2,1,3H3.
What are the key properties of 5-(methoxymethoxy)undec-1-en-2-ylsulfanylbenzene?
5-(methoxymethoxy)undec-1-en-2-ylsulfanylbenzene has a molecular weight of 322.51 g/mol, XLogP of 6.03, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethoxy)undec-1-en-2-ylsulfanylbenzene is sourced from PubChem (CID 14172398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).