2-methyl-5-(trimethoxymethyl)tridecane

C18H38O3 — CID 151591018

IUPAC2-methyl-5-(trimethoxymethyl)tridecane
SMILESCCCCCCCCC(CCC(C)C)C(OC)(OC)OC
InChIInChI=1S/C18H38O3/c1-7-8-9-10-11-12-13-17(15-14-16(2)3)18(19-4,20-5)21-6/h16-17H,7-15H2,1-6H3
InChIKeyQIMUICRDJPCHJB-UHFFFAOYSA-N
MW302.50 g/mol
LogP5.38
Rot. Bonds14

About 2-methyl-5-(trimethoxymethyl)tridecane

2-methyl-5-(trimethoxymethyl)tridecane (PubChem CID 151591018) has the molecular formula C18H38O3 and a molecular weight of 302.50 g/mol. Its IUPAC name is 2-methyl-5-(trimethoxymethyl)tridecane.

Molecular Properties

Compound Name2-methyl-5-(trimethoxymethyl)tridecane
PubChem CID151591018
Molecular FormulaC18H38O3
Molecular Weight302.50 g/mol
Exact Mass302.28
IUPAC Name2-methyl-5-(trimethoxymethyl)tridecane
SMILESCCCCCCCCC(CCC(C)C)C(OC)(OC)OC
InChIInChI=1S/C18H38O3/c1-7-8-9-10-11-12-13-17(15-14-16(2)3)18(19-4,20-5)21-6/h16-17H,7-15H2,1-6H3
InChIKeyQIMUICRDJPCHJB-UHFFFAOYSA-N
XLogP5.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.50
LogP ≤ 55.38
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
2-methyl-4-(trimethoxymethyl)dodecane
CID 150841512
4-(trimethoxymethyl)dodecane;hydrochloride
CID 172790816
N,N-bis(2-methylpropyl)-4-(trimethoxymethyl)dodecan-1-amine
CID 150947658
3-(trimethoxymethyl)undecane
CID 150552650
1,1,1-trifluoro-5-(trimethoxymethyl)tridecane
CID 150730779
butan-1-amine;4-(trimethoxymethyl)dodecane
CID 159368257
1-methylsulfanyl-4-(trimethoxymethyl)dodecane
CID 150283206
1-sulfonyl-4-(trimethoxymethyl)dodecane
CID 151131414
N'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine
CID 150981687
2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane
CID 151032004
1,1,1,2,2,3,3-heptafluoro-6-(trimethoxymethyl)tetradecane
CID 150818115

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trimethoxymethyl)tridecane?
The IUPAC name of 2-methyl-5-(trimethoxymethyl)tridecane (CID 151591018) is 2-methyl-5-(trimethoxymethyl)tridecane.
What is the SMILES notation for 2-methyl-5-(trimethoxymethyl)tridecane?
The canonical SMILES for 2-methyl-5-(trimethoxymethyl)tridecane is CCCCCCCCC(CCC(C)C)C(OC)(OC)OC.
What is the InChIKey of 2-methyl-5-(trimethoxymethyl)tridecane?
The InChIKey is QIMUICRDJPCHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3/c1-7-8-9-10-11-12-13-17(15-14-16(2)3)18(19-4,20-5)21-6/h16-17H,7-15H2,1-6H3.
What are the key properties of 2-methyl-5-(trimethoxymethyl)tridecane?
2-methyl-5-(trimethoxymethyl)tridecane has a molecular weight of 302.50 g/mol, XLogP of 5.38, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trimethoxymethyl)tridecane is sourced from PubChem (CID 151591018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).