2-hex-1-enyl-2-methoxy-3-methyloxane

C13H24O2 — CID 150187464

IUPAC2-hex-1-enyl-2-methoxy-3-methyloxane
SMILESCCCCC=CC1(OC)OCCCC1C
InChIInChI=1S/C13H24O2/c1-4-5-6-7-10-13(14-3)12(2)9-8-11-15-13/h7,10,12H,4-6,8-9,11H2,1-3H3
InChIKeyFMSNSAZMYSRFCE-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.52
Rot. Bonds5

About 2-hex-1-enyl-2-methoxy-3-methyloxane

2-hex-1-enyl-2-methoxy-3-methyloxane (PubChem CID 150187464) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-hex-1-enyl-2-methoxy-3-methyloxane.

Molecular Properties

Compound Name2-hex-1-enyl-2-methoxy-3-methyloxane
PubChem CID150187464
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-hex-1-enyl-2-methoxy-3-methyloxane
SMILESCCCCC=CC1(OC)OCCCC1C
InChIInChI=1S/C13H24O2/c1-4-5-6-7-10-13(14-3)12(2)9-8-11-15-13/h7,10,12H,4-6,8-9,11H2,1-3H3
InChIKeyFMSNSAZMYSRFCE-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,7-Dimethyl-1,10-dioxaspiro[4.5]dec-3-ene
CID 10535117
1,6-Dioxaspiro[4.5]dec-3-ene
CID 13841628
(2S,3R,4R)-4-methoxy-2-[(2S)-1-(methoxymethoxy)propan-2-yl]-3,6-dimethyl-3,4-dihydro-2H-pyran
CID 23635075
(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 101608922
(6R)-2,2,4-trimethyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 102279170
5-(2,5-Dihydrofuran-3-ylmethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane
CID 134854473
5-ethyl-2-[(E)-4-hydroxybut-1-enyl]oxan-2-ol
CID 134897923
(3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 134993637
2-Methyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 14832114
2,2-Dimethyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 14832116
7,9-Dioxadispiro[5.1.58.26]pentadec-14-ene
CID 14983154
6,6-Diethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 10466207

Frequently Asked Questions

What is the IUPAC name of 2-hex-1-enyl-2-methoxy-3-methyloxane?
The IUPAC name of 2-hex-1-enyl-2-methoxy-3-methyloxane (CID 150187464) is 2-hex-1-enyl-2-methoxy-3-methyloxane.
What is the SMILES notation for 2-hex-1-enyl-2-methoxy-3-methyloxane?
The canonical SMILES for 2-hex-1-enyl-2-methoxy-3-methyloxane is CCCCC=CC1(OC)OCCCC1C.
What is the InChIKey of 2-hex-1-enyl-2-methoxy-3-methyloxane?
The InChIKey is FMSNSAZMYSRFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-5-6-7-10-13(14-3)12(2)9-8-11-15-13/h7,10,12H,4-6,8-9,11H2,1-3H3.
What are the key properties of 2-hex-1-enyl-2-methoxy-3-methyloxane?
2-hex-1-enyl-2-methoxy-3-methyloxane has a molecular weight of 212.33 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-1-enyl-2-methoxy-3-methyloxane is sourced from PubChem (CID 150187464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).