4,4-dimethoxy-5-propyltridecane

C18H38O2 — CID 151317508

IUPAC4,4-dimethoxy-5-propyltridecane
SMILESCCCCCCCCC(CCC)C(CCC)(OC)OC
InChIInChI=1S/C18H38O2/c1-6-9-10-11-12-13-15-17(14-7-2)18(19-4,20-5)16-8-3/h17H,6-16H2,1-5H3
InChIKeyOFTCDOQQZMYUJW-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.94
Rot. Bonds14

About 4,4-dimethoxy-5-propyltridecane

4,4-dimethoxy-5-propyltridecane (PubChem CID 151317508) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 4,4-dimethoxy-5-propyltridecane.

Molecular Properties

Compound Name4,4-dimethoxy-5-propyltridecane
PubChem CID151317508
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name4,4-dimethoxy-5-propyltridecane
SMILESCCCCCCCCC(CCC)C(CCC)(OC)OC
InChIInChI=1S/C18H38O2/c1-6-9-10-11-12-13-15-17(14-7-2)18(19-4,20-5)16-8-3/h17H,6-16H2,1-5H3
InChIKeyOFTCDOQQZMYUJW-UHFFFAOYSA-N
XLogP5.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.94
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'}

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Related Compounds

4,4-diethoxy-5-propyltridecane
CID 152734568
3,3-bis(2-methoxyethoxy)-4-propyldodecane
CID 151863987
4-(trimethoxymethyl)dodecane;hydrochloride
CID 172790816
6-(trimethoxymethyl)tridecane
CID 151806345
5,5-dibutyl-6-propyltetradecane
CID 151501472
4,5-dipropylpentadecan-4-amine;hydrobromide
CID 175052572
10,10-dimethoxy-9-methyloctacosane
CID 151883229
5,5-dimethoxy-6-methyltetradecane
CID 150194841
7,7-dimethoxy-8-methylhexadecane
CID 150332936
10,10-dimethoxy-9-methylhenicosane
CID 150642222
butan-1-amine;4-(trimethoxymethyl)dodecane
CID 159368257
5-propyldecane-4,4-diol
CID 156789084

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-5-propyltridecane?
The IUPAC name of 4,4-dimethoxy-5-propyltridecane (CID 151317508) is 4,4-dimethoxy-5-propyltridecane.
What is the SMILES notation for 4,4-dimethoxy-5-propyltridecane?
The canonical SMILES for 4,4-dimethoxy-5-propyltridecane is CCCCCCCCC(CCC)C(CCC)(OC)OC.
What is the InChIKey of 4,4-dimethoxy-5-propyltridecane?
The InChIKey is OFTCDOQQZMYUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-6-9-10-11-12-13-15-17(14-7-2)18(19-4,20-5)16-8-3/h17H,6-16H2,1-5H3.
What are the key properties of 4,4-dimethoxy-5-propyltridecane?
4,4-dimethoxy-5-propyltridecane has a molecular weight of 286.50 g/mol, XLogP of 5.94, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-5-propyltridecane is sourced from PubChem (CID 151317508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).