4-(trimethoxymethyl)dodecane;hydrochloride

C16H35ClO3 — CID 172790816

IUPAC4-(trimethoxymethyl)dodecane;hydrochloride
SMILESCCCCCCCCC(CCC)C(OC)(OC)OC.Cl
InChIInChI=1S/C16H34O3.ClH/c1-6-8-9-10-11-12-14-15(13-7-2)16(17-3,18-4)19-5;/h15H,6-14H2,1-5H3;1H
InChIKeyPNUGSDQQNPJAPF-UHFFFAOYSA-N
MW310.91 g/mol
LogP5.17
Rot. Bonds13

About 4-(trimethoxymethyl)dodecane;hydrochloride

4-(trimethoxymethyl)dodecane;hydrochloride (PubChem CID 172790816) has the molecular formula C16H35ClO3 and a molecular weight of 310.91 g/mol. Its IUPAC name is 4-(trimethoxymethyl)dodecane;hydrochloride.

Molecular Properties

Compound Name4-(trimethoxymethyl)dodecane;hydrochloride
PubChem CID172790816
Molecular FormulaC16H35ClO3
Molecular Weight310.91 g/mol
Exact Mass310.23
IUPAC Name4-(trimethoxymethyl)dodecane;hydrochloride
SMILESCCCCCCCCC(CCC)C(OC)(OC)OC.Cl
InChIInChI=1S/C16H34O3.ClH/c1-6-8-9-10-11-12-14-15(13-7-2)16(17-3,18-4)19-5;/h15H,6-14H2,1-5H3;1H
InChIKeyPNUGSDQQNPJAPF-UHFFFAOYSA-N
XLogP5.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.91
LogP ≤ 55.17
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

6-(trimethoxymethyl)tridecane
CID 151806345
butan-1-amine;4-(trimethoxymethyl)dodecane
CID 159368257
3-(trimethoxymethyl)undecane
CID 150552650
2-methyl-5-(trimethoxymethyl)tridecane
CID 151591018
1,1,1-trifluoro-5-(trimethoxymethyl)tridecane
CID 150730779
1-methylsulfanyl-4-(trimethoxymethyl)dodecane
CID 150283206
2-methyl-4-(trimethoxymethyl)dodecane
CID 150841512
1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane
CID 159659931
1-sulfonyl-4-(trimethoxymethyl)dodecane
CID 151131414
N'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine
CID 150981687
4,4-dimethoxy-5-propyltridecane
CID 151317508
1,1,1,2,2,3,3-heptafluoro-6-(trimethoxymethyl)tetradecane
CID 150818115

Frequently Asked Questions

What is the IUPAC name of 4-(trimethoxymethyl)dodecane;hydrochloride?
The IUPAC name of 4-(trimethoxymethyl)dodecane;hydrochloride (CID 172790816) is 4-(trimethoxymethyl)dodecane;hydrochloride.
What is the SMILES notation for 4-(trimethoxymethyl)dodecane;hydrochloride?
The canonical SMILES for 4-(trimethoxymethyl)dodecane;hydrochloride is CCCCCCCCC(CCC)C(OC)(OC)OC.Cl.
What is the InChIKey of 4-(trimethoxymethyl)dodecane;hydrochloride?
The InChIKey is PNUGSDQQNPJAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3.ClH/c1-6-8-9-10-11-12-14-15(13-7-2)16(17-3,18-4)19-5;/h15H,6-14H2,1-5H3;1H.
What are the key properties of 4-(trimethoxymethyl)dodecane;hydrochloride?
4-(trimethoxymethyl)dodecane;hydrochloride has a molecular weight of 310.91 g/mol, XLogP of 5.17, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trimethoxymethyl)dodecane;hydrochloride is sourced from PubChem (CID 172790816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).