(2S,6R)-2-methyl-6-pentyl-2-propa-1,2-dienyloxane

C14H24O — CID 101411288

IUPAC(2S,6R)-2-methyl-6-pentyl-2-propa-1,2-dienyloxane
SMILESC=C=C[C@]1(C)CCC[C@@H](CCCCC)O1
InChIInChI=1S/C14H24O/c1-4-6-7-9-13-10-8-12-14(3,15-13)11-5-2/h11,13H,2,4,6-10,12H2,1,3H3/t13-,14-/m1/s1
InChIKeyJQZLKQRUOOTEJW-ZIAGYGMSSA-N
MW208.34 g/mol
LogP4.24
Rot. Bonds5

About (2S,6R)-2-methyl-6-pentyl-2-propa-1,2-dienyloxane

(2S,6R)-2-methyl-6-pentyl-2-propa-1,2-dienyloxane (PubChem CID 101411288) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (2S,6R)-2-methyl-6-pentyl-2-propa-1,2-dienyloxane.

Molecular Properties

Compound Name(2S,6R)-2-methyl-6-pentyl-2-propa-1,2-dienyloxane
PubChem CID101411288
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(2S,6R)-2-methyl-6-pentyl-2-propa-1,2-dienyloxane
SMILESC=C=C[C@]1(C)CCC[C@@H](CCCCC)O1
InChIInChI=1S/C14H24O/c1-4-6-7-9-13-10-8-12-14(3,15-13)11-5-2/h11,13H,2,4,6-10,12H2,1,3H3/t13-,14-/m1/s1
InChIKeyJQZLKQRUOOTEJW-ZIAGYGMSSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,6S)-2-ethyl-6-hexyl-2-methyloxane
CID 102172667
(2S,6S,8R)-8-butyl-2-ethenyl-1,7-dioxaspiro[5.5]undecane
CID 71504682
(4S,6R)-2,2-dimethyl-4-nonadecyl-6-pentyl-1,3-dioxane
CID 15882396
2-tetradecyloxolane
CID 10683364
2-butyl-1-oxaspiro[4.5]decane
CID 154513555
4-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741
(1R,3S,4S,6R,8R,10S,12R)-6-[2-(hydroxymethyl)prop-2-enyl]-1-methyl-12-pentyl-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-4-ol
CID 101411299
(2R,6R,8S)-8-hexyl-2-(5-methylfuran-2-yl)-1,7-dioxaspiro[5.5]undecane
CID 102182627
(2R,6R,8S)-2-(furan-2-yl)-8-nonyl-1,7-dioxaspiro[5.5]undecane
CID 102182624
(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690
7-pentyloxepane-2-carbonitrile
CID 10559768

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-methyl-6-pentyl-2-propa-1,2-dienyloxane?
The IUPAC name of (2S,6R)-2-methyl-6-pentyl-2-propa-1,2-dienyloxane (CID 101411288) is (2S,6R)-2-methyl-6-pentyl-2-propa-1,2-dienyloxane.
What is the SMILES notation for (2S,6R)-2-methyl-6-pentyl-2-propa-1,2-dienyloxane?
The canonical SMILES for (2S,6R)-2-methyl-6-pentyl-2-propa-1,2-dienyloxane is C=C=C[C@]1(C)CCC[C@@H](CCCCC)O1.
What is the InChIKey of (2S,6R)-2-methyl-6-pentyl-2-propa-1,2-dienyloxane?
The InChIKey is JQZLKQRUOOTEJW-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H24O/c1-4-6-7-9-13-10-8-12-14(3,15-13)11-5-2/h11,13H,2,4,6-10,12H2,1,3H3/t13-,14-/m1/s1.
What are the key properties of (2S,6R)-2-methyl-6-pentyl-2-propa-1,2-dienyloxane?
(2S,6R)-2-methyl-6-pentyl-2-propa-1,2-dienyloxane has a molecular weight of 208.34 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-methyl-6-pentyl-2-propa-1,2-dienyloxane is sourced from PubChem (CID 101411288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).