8-(methoxymethyl)-2,6,7-trimethyl-5-propyldodecane

C20H42O — CID 172616922

IUPAC8-(methoxymethyl)-2,6,7-trimethyl-5-propyldodecane
SMILESCCCCC(COC)C(C)C(C)C(CCC)CCC(C)C
InChIInChI=1S/C20H42O/c1-8-10-12-20(15-21-7)18(6)17(5)19(11-9-2)14-13-16(3)4/h16-20H,8-15H2,1-7H3
InChIKeyIWTIMPGJICMJLQ-UHFFFAOYSA-N
MW298.56 g/mol
LogP6.56
Rot. Bonds13

About 8-(methoxymethyl)-2,6,7-trimethyl-5-propyldodecane

8-(methoxymethyl)-2,6,7-trimethyl-5-propyldodecane (PubChem CID 172616922) has the molecular formula C20H42O and a molecular weight of 298.56 g/mol. Its IUPAC name is 8-(methoxymethyl)-2,6,7-trimethyl-5-propyldodecane.

Molecular Properties

Compound Name8-(methoxymethyl)-2,6,7-trimethyl-5-propyldodecane
PubChem CID172616922
Molecular FormulaC20H42O
Molecular Weight298.56 g/mol
Exact Mass298.32
IUPAC Name8-(methoxymethyl)-2,6,7-trimethyl-5-propyldodecane
SMILESCCCCC(COC)C(C)C(C)C(CCC)CCC(C)C
InChIInChI=1S/C20H42O/c1-8-10-12-20(15-21-7)18(6)17(5)19(11-9-2)14-13-16(3)4/h16-20H,8-15H2,1-7H3
InChIKeyIWTIMPGJICMJLQ-UHFFFAOYSA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-(methoxymethyl)-2,6,7-trimethyl-5-propyldodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-8-(methoxymethyl)-3,7-dimethyl-6-propyldodecane
CID 172616679
5,6-bis(methoxymethyl)undecane
CID 142709817
5-butyl-2,6-dimethyldecane
CID 123775332
3-butyl-6-methylheptan-2-ol
CID 86675568
6,7-dimethyl-5-propyldodecane
CID 123459990
4,5-bis(methoxymethyl)-2,2-dimethylnonane
CID 142709822
7-ethyl-5-methoxy-4-(methoxymethyl)undecane
CID 150587909
2,2,3-trimethyl-4-propyloctane
CID 57492614
(8R)-8-(methoxymethyl)-2-methylundecane
CID 118890150
4,5-diethylnonane
CID 21188862
6-(ethoxymethyl)-2-methyldecan-5-ol
CID 143317238
(5R)-2-methyl-5-propylnonane
CID 162842430

Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethyl)-2,6,7-trimethyl-5-propyldodecane?
The IUPAC name of 8-(methoxymethyl)-2,6,7-trimethyl-5-propyldodecane (CID 172616922) is 8-(methoxymethyl)-2,6,7-trimethyl-5-propyldodecane.
What is the SMILES notation for 8-(methoxymethyl)-2,6,7-trimethyl-5-propyldodecane?
The canonical SMILES for 8-(methoxymethyl)-2,6,7-trimethyl-5-propyldodecane is CCCCC(COC)C(C)C(C)C(CCC)CCC(C)C.
What is the InChIKey of 8-(methoxymethyl)-2,6,7-trimethyl-5-propyldodecane?
The InChIKey is IWTIMPGJICMJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O/c1-8-10-12-20(15-21-7)18(6)17(5)19(11-9-2)14-13-16(3)4/h16-20H,8-15H2,1-7H3.
What are the key properties of 8-(methoxymethyl)-2,6,7-trimethyl-5-propyldodecane?
8-(methoxymethyl)-2,6,7-trimethyl-5-propyldodecane has a molecular weight of 298.56 g/mol, XLogP of 6.56, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)-2,6,7-trimethyl-5-propyldodecane is sourced from PubChem (CID 172616922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).