(3R)-8-(methoxymethyl)-3,7-dimethyl-6-propyldodecane

C19H40O — CID 172616679

IUPAC(3R)-8-(methoxymethyl)-3,7-dimethyl-6-propyldodecane
SMILESCCCCC(COC)C(C)C(CCC)CC[C@H](C)CC
InChIInChI=1S/C19H40O/c1-7-10-12-19(15-20-6)17(5)18(11-8-2)14-13-16(4)9-3/h16-19H,7-15H2,1-6H3/t16-,17?,18?,19?/m1/s1
InChIKeyJCTKMGSWJFBJOO-WYEIJNPQSA-N
MW284.53 g/mol
LogP6.32
Rot. Bonds13

About (3R)-8-(methoxymethyl)-3,7-dimethyl-6-propyldodecane

(3R)-8-(methoxymethyl)-3,7-dimethyl-6-propyldodecane (PubChem CID 172616679) has the molecular formula C19H40O and a molecular weight of 284.53 g/mol. Its IUPAC name is (3R)-8-(methoxymethyl)-3,7-dimethyl-6-propyldodecane.

Molecular Properties

Compound Name(3R)-8-(methoxymethyl)-3,7-dimethyl-6-propyldodecane
PubChem CID172616679
Molecular FormulaC19H40O
Molecular Weight284.53 g/mol
Exact Mass284.31
IUPAC Name(3R)-8-(methoxymethyl)-3,7-dimethyl-6-propyldodecane
SMILESCCCCC(COC)C(C)C(CCC)CC[C@H](C)CC
InChIInChI=1S/C19H40O/c1-7-10-12-19(15-20-6)17(5)18(11-8-2)14-13-16(4)9-3/h16-19H,7-15H2,1-6H3/t16-,17?,18?,19?/m1/s1
InChIKeyJCTKMGSWJFBJOO-WYEIJNPQSA-N
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.53
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-(methoxymethyl)-2,6,7-trimethyl-5-propyldodecane
CID 172616922
(3R,6S)-3,6-dimethyldecane
CID 170848353
6-butyl-3,7-dimethylundecane
CID 123359248
5,6-bis(methoxymethyl)undecane
CID 142709817
3-methylheptane;nickel
CID 158967838
3-methylheptane;2-methylpentane
CID 165405793
3-methylheptane;octane
CID 144782281
calcium;hydride;3-methylheptane
CID 174879723
3-methyl-6-propan-2-ylundecane
CID 123788850
ethylperoxyethane;3-methylheptane
CID 161352622
4-ethylheptane;3-methylheptane
CID 143099611
1-methoxy-2,22-dimethyltetracosane
CID 86173032

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(methoxymethyl)-3,7-dimethyl-6-propyldodecane?
The IUPAC name of (3R)-8-(methoxymethyl)-3,7-dimethyl-6-propyldodecane (CID 172616679) is (3R)-8-(methoxymethyl)-3,7-dimethyl-6-propyldodecane.
What is the SMILES notation for (3R)-8-(methoxymethyl)-3,7-dimethyl-6-propyldodecane?
The canonical SMILES for (3R)-8-(methoxymethyl)-3,7-dimethyl-6-propyldodecane is CCCCC(COC)C(C)C(CCC)CC[C@H](C)CC.
What is the InChIKey of (3R)-8-(methoxymethyl)-3,7-dimethyl-6-propyldodecane?
The InChIKey is JCTKMGSWJFBJOO-WYEIJNPQSA-N. The full InChI is InChI=1S/C19H40O/c1-7-10-12-19(15-20-6)17(5)18(11-8-2)14-13-16(4)9-3/h16-19H,7-15H2,1-6H3/t16-,17?,18?,19?/m1/s1.
What are the key properties of (3R)-8-(methoxymethyl)-3,7-dimethyl-6-propyldodecane?
(3R)-8-(methoxymethyl)-3,7-dimethyl-6-propyldodecane has a molecular weight of 284.53 g/mol, XLogP of 6.32, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(methoxymethyl)-3,7-dimethyl-6-propyldodecane is sourced from PubChem (CID 172616679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).