2-methyl-4-(trimethoxymethyl)dodecane

C17H36O3 — CID 150841512

IUPAC2-methyl-4-(trimethoxymethyl)dodecane
SMILESCCCCCCCCC(CC(C)C)C(OC)(OC)OC
InChIInChI=1S/C17H36O3/c1-7-8-9-10-11-12-13-16(14-15(2)3)17(18-4,19-5)20-6/h15-16H,7-14H2,1-6H3
InChIKeyKOBVGACQCPTLIQ-UHFFFAOYSA-N
MW288.47 g/mol
LogP4.99
Rot. Bonds13

About 2-methyl-4-(trimethoxymethyl)dodecane

2-methyl-4-(trimethoxymethyl)dodecane (PubChem CID 150841512) has the molecular formula C17H36O3 and a molecular weight of 288.47 g/mol. Its IUPAC name is 2-methyl-4-(trimethoxymethyl)dodecane.

Molecular Properties

Compound Name2-methyl-4-(trimethoxymethyl)dodecane
PubChem CID150841512
Molecular FormulaC17H36O3
Molecular Weight288.47 g/mol
Exact Mass288.27
IUPAC Name2-methyl-4-(trimethoxymethyl)dodecane
SMILESCCCCCCCCC(CC(C)C)C(OC)(OC)OC
InChIInChI=1S/C17H36O3/c1-7-8-9-10-11-12-13-16(14-15(2)3)17(18-4,19-5)20-6/h15-16H,7-14H2,1-6H3
InChIKeyKOBVGACQCPTLIQ-UHFFFAOYSA-N
XLogP4.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.47
LogP ≤ 54.99
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-5-(trimethoxymethyl)tridecane
CID 151591018
3-(trimethoxymethyl)undecane
CID 150552650
4-(trimethoxymethyl)dodecane;hydrochloride
CID 172790816
N,N-bis(2-methylpropyl)-4-(trimethoxymethyl)dodecan-1-amine
CID 150947658
1,1,1-trifluoro-5-(trimethoxymethyl)tridecane
CID 150730779
butan-1-amine;4-(trimethoxymethyl)dodecane
CID 159368257
1-methylsulfanyl-4-(trimethoxymethyl)dodecane
CID 150283206
3-hydroperoxy-3-[3-hydroperoxy-4-(2-methylpropyl)heptadecan-3-yl]peroxy-4-(2-methylpropyl)heptadecane
CID 87740651
1-sulfonyl-4-(trimethoxymethyl)dodecane
CID 151131414
2-methyl-4,4-bis[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)tridecane
CID 150477010
N'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine
CID 150981687

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trimethoxymethyl)dodecane?
The IUPAC name of 2-methyl-4-(trimethoxymethyl)dodecane (CID 150841512) is 2-methyl-4-(trimethoxymethyl)dodecane.
What is the SMILES notation for 2-methyl-4-(trimethoxymethyl)dodecane?
The canonical SMILES for 2-methyl-4-(trimethoxymethyl)dodecane is CCCCCCCCC(CC(C)C)C(OC)(OC)OC.
What is the InChIKey of 2-methyl-4-(trimethoxymethyl)dodecane?
The InChIKey is KOBVGACQCPTLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3/c1-7-8-9-10-11-12-13-16(14-15(2)3)17(18-4,19-5)20-6/h15-16H,7-14H2,1-6H3.
What are the key properties of 2-methyl-4-(trimethoxymethyl)dodecane?
2-methyl-4-(trimethoxymethyl)dodecane has a molecular weight of 288.47 g/mol, XLogP of 4.99, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trimethoxymethyl)dodecane is sourced from PubChem (CID 150841512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).