2-(dimethoxymethyl)-6,10,14-trimethylpentadec-1-ene

C21H42O2 — CID 23286550

IUPAC2-(dimethoxymethyl)-6,10,14-trimethylpentadec-1-ene
SMILESC=C(CCCC(C)CCCC(C)CCCC(C)C)C(OC)OC
InChIInChI=1S/C21H42O2/c1-17(2)11-8-12-18(3)13-9-14-19(4)15-10-16-20(5)21(22-6)23-7/h17-19,21H,5,8-16H2,1-4,6-7H3
InChIKeyMRQYRDSRECFAIF-UHFFFAOYSA-N
MW326.57 g/mol
LogP6.60
Rot. Bonds15

About 2-(dimethoxymethyl)-6,10,14-trimethylpentadec-1-ene

2-(dimethoxymethyl)-6,10,14-trimethylpentadec-1-ene (PubChem CID 23286550) has the molecular formula C21H42O2 and a molecular weight of 326.57 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-6,10,14-trimethylpentadec-1-ene.

Molecular Properties

Compound Name2-(dimethoxymethyl)-6,10,14-trimethylpentadec-1-ene
PubChem CID23286550
Molecular FormulaC21H42O2
Molecular Weight326.57 g/mol
Exact Mass326.32
IUPAC Name2-(dimethoxymethyl)-6,10,14-trimethylpentadec-1-ene
SMILESC=C(CCCC(C)CCCC(C)CCCC(C)C)C(OC)OC
InChIInChI=1S/C21H42O2/c1-17(2)11-8-12-18(3)13-9-14-19(4)15-10-16-20(5)21(22-6)23-7/h17-19,21H,5,8-16H2,1-4,6-7H3
InChIKeyMRQYRDSRECFAIF-UHFFFAOYSA-N
XLogP6.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6,10-dimethylundec-1-en-2-ylcyclopropane
CID 123693497
7-methyl-3-methylideneoctane-1,2-diol
CID 87429663
(E,2R,9R,13R)-5,9,13,17-tetramethyl-2-[(6S,10S)-6,10,14-trimethylpentadec-1-en-2-yl]octadec-4-en-1-ol
CID 637211
2,5,9,13-tetramethyltetradecane
CID 58292409
1-methoxy-4,8-dimethylnonane
CID 90974533
(5R,9R)-5,9,13-trimethyltetradecanoyl chloride
CID 118035354
2-hydroxyethyl 6,10,14-trimethyl-2-methylidenepentadecanoate
CID 23286533
(2R,6R,10R)-2,6,10,14-tetramethylpentadecan-1-ol
CID 170847769
(2S,6S)-6,10-dimethylundecan-2-ol
CID 92938997
3,7-dimethyloctan-1-ol
CID 7792
2,6,10-trimethyl-5-methylidenetetradecane
CID 91023399
2,2-dimethoxy-6,10,14-trimethylpentadecane
CID 118520250

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-6,10,14-trimethylpentadec-1-ene?
The IUPAC name of 2-(dimethoxymethyl)-6,10,14-trimethylpentadec-1-ene (CID 23286550) is 2-(dimethoxymethyl)-6,10,14-trimethylpentadec-1-ene.
What is the SMILES notation for 2-(dimethoxymethyl)-6,10,14-trimethylpentadec-1-ene?
The canonical SMILES for 2-(dimethoxymethyl)-6,10,14-trimethylpentadec-1-ene is C=C(CCCC(C)CCCC(C)CCCC(C)C)C(OC)OC.
What is the InChIKey of 2-(dimethoxymethyl)-6,10,14-trimethylpentadec-1-ene?
The InChIKey is MRQYRDSRECFAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O2/c1-17(2)11-8-12-18(3)13-9-14-19(4)15-10-16-20(5)21(22-6)23-7/h17-19,21H,5,8-16H2,1-4,6-7H3.
What are the key properties of 2-(dimethoxymethyl)-6,10,14-trimethylpentadec-1-ene?
2-(dimethoxymethyl)-6,10,14-trimethylpentadec-1-ene has a molecular weight of 326.57 g/mol, XLogP of 6.60, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-6,10,14-trimethylpentadec-1-ene is sourced from PubChem (CID 23286550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).