6,10,14-trimethyl-1-prop-1-en-2-yloxypentadecane

C21H42O — CID 123420659

IUPAC6,10,14-trimethyl-1-prop-1-en-2-yloxypentadecane
SMILESC=C(C)OCCCCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C21H42O/c1-18(2)12-10-14-21(6)16-11-15-20(5)13-8-7-9-17-22-19(3)4/h18,20-21H,3,7-17H2,1-2,4-6H3
InChIKeyOVTBGCDFAVZWMC-UHFFFAOYSA-N
MW310.57 g/mol
LogP7.37
Rot. Bonds15

About 6,10,14-trimethyl-1-prop-1-en-2-yloxypentadecane

6,10,14-trimethyl-1-prop-1-en-2-yloxypentadecane (PubChem CID 123420659) has the molecular formula C21H42O and a molecular weight of 310.57 g/mol. Its IUPAC name is 6,10,14-trimethyl-1-prop-1-en-2-yloxypentadecane.

Molecular Properties

Compound Name6,10,14-trimethyl-1-prop-1-en-2-yloxypentadecane
PubChem CID123420659
Molecular FormulaC21H42O
Molecular Weight310.57 g/mol
Exact Mass310.32
IUPAC Name6,10,14-trimethyl-1-prop-1-en-2-yloxypentadecane
SMILESC=C(C)OCCCCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C21H42O/c1-18(2)12-10-14-21(6)16-11-15-20(5)13-8-7-9-17-22-19(3)4/h18,20-21H,3,7-17H2,1-2,4-6H3
InChIKeyOVTBGCDFAVZWMC-UHFFFAOYSA-N
XLogP7.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

11-(Butoxymethyl)tricosane
CID 87842016
2-Hexyldecyl octylether
CID 15032029
Isopropenyl octadecyl ether
CID 22407739
Bis(3,7-dimethyl-1-octyl) ether
CID 85776278
trans-3-Hexyl-2-methylene-4-tridecyloxetane
CID 86289021
11-(Hexoxymethyl)tricosane
CID 87840220
2-Pentylnonyl vinyl ether
CID 90318820
5-[2-[2-(3-Fluoroprop-1-en-2-yloxy)ethoxy]ethyl]undecane
CID 174252065
(3S,7R,11S)-1-ethoxy-3,7,11,15-tetramethylhexadecane
CID 90478341
Butyl 2-pentylnonyl ether
CID 129658848
Ethyl 2-pentylnonyl ether
CID 129658855
1-Methylethyl 2-pentylnonyl ether
CID 129658927

Frequently Asked Questions

What is the IUPAC name of 6,10,14-trimethyl-1-prop-1-en-2-yloxypentadecane?
The IUPAC name of 6,10,14-trimethyl-1-prop-1-en-2-yloxypentadecane (CID 123420659) is 6,10,14-trimethyl-1-prop-1-en-2-yloxypentadecane.
What is the SMILES notation for 6,10,14-trimethyl-1-prop-1-en-2-yloxypentadecane?
The canonical SMILES for 6,10,14-trimethyl-1-prop-1-en-2-yloxypentadecane is C=C(C)OCCCCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 6,10,14-trimethyl-1-prop-1-en-2-yloxypentadecane?
The InChIKey is OVTBGCDFAVZWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O/c1-18(2)12-10-14-21(6)16-11-15-20(5)13-8-7-9-17-22-19(3)4/h18,20-21H,3,7-17H2,1-2,4-6H3.
What are the key properties of 6,10,14-trimethyl-1-prop-1-en-2-yloxypentadecane?
6,10,14-trimethyl-1-prop-1-en-2-yloxypentadecane has a molecular weight of 310.57 g/mol, XLogP of 7.37, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,14-trimethyl-1-prop-1-en-2-yloxypentadecane is sourced from PubChem (CID 123420659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).