6-methyl-6-[(E)-prop-1-enyl]-1,4,8,11-tetraoxadispiro[4.1.47.35]tetradecane

C14H22O4 — CID 11436734

IUPAC6-methyl-6-[(E)-prop-1-enyl]-1,4,8,11-tetraoxadispiro[4.1.47.35]tetradecane
SMILESC/C=C/C1(C)C2(CCCC13OCCO3)OCCO2
InChIInChI=1S/C14H22O4/c1-3-5-12(2)13(15-8-9-16-13)6-4-7-14(12)17-10-11-18-14/h3,5H,4,6-11H2,1-2H3/b5-3+
InChIKeyBYAYANFJOCNYQN-HWKANZROSA-N
MW254.33 g/mol
LogP2.24
Rot. Bonds1

About 6-methyl-6-[(E)-prop-1-enyl]-1,4,8,11-tetraoxadispiro[4.1.47.35]tetradecane

6-methyl-6-[(E)-prop-1-enyl]-1,4,8,11-tetraoxadispiro[4.1.47.35]tetradecane (PubChem CID 11436734) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-methyl-6-[(E)-prop-1-enyl]-1,4,8,11-tetraoxadispiro[4.1.47.35]tetradecane.

Molecular Properties

Compound Name6-methyl-6-[(E)-prop-1-enyl]-1,4,8,11-tetraoxadispiro[4.1.47.35]tetradecane
PubChem CID11436734
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name6-methyl-6-[(E)-prop-1-enyl]-1,4,8,11-tetraoxadispiro[4.1.47.35]tetradecane
SMILESC/C=C/C1(C)C2(CCCC13OCCO3)OCCO2
InChIInChI=1S/C14H22O4/c1-3-5-12(2)13(15-8-9-16-13)6-4-7-14(12)17-10-11-18-14/h3,5H,4,6-11H2,1-2H3/b5-3+
InChIKeyBYAYANFJOCNYQN-HWKANZROSA-N
XLogP2.24
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane
CID 10855469
2-(2-prop-1-enyl-1,3-dioxolan-2-yl)acetaldehyde
CID 142653371
2,2-dimethyl-4,7-dioxaspiro[2.4]heptane
CID 131851587
2,2-dimethyl-1,3-dioxolane;formic acid
CID 142542540
(7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 135272503
2-methylsulfanyl-2-[(Z)-prop-1-enyl]oxepane
CID 10103917
[(6S,7S)-6,7-dimethyl-1,4-dioxaspiro[4.5]decan-6-yl]methanol
CID 131857309
2-but-2-enyl-2-methyl-1,3-dioxolane
CID 162417486
(8'aS)-8'a-methyl-3'-oxospiro[1,3-dioxolane-2,8'-2,5,6,7-tetrahydro-1H-naphthalene]-2'-carbaldehyde
CID 90691904
1-[(E)-prop-1-enyl]cycloundecan-1-ol
CID 134894684
4a,8a-dimethyl-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxine
CID 11137610
methyl 3-[(6S,7R)-7-ethenyl-6,7-dimethyl-1,4-dioxaspiro[4.5]decan-6-yl]propanoate
CID 10989690

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-[(E)-prop-1-enyl]-1,4,8,11-tetraoxadispiro[4.1.47.35]tetradecane?
The IUPAC name of 6-methyl-6-[(E)-prop-1-enyl]-1,4,8,11-tetraoxadispiro[4.1.47.35]tetradecane (CID 11436734) is 6-methyl-6-[(E)-prop-1-enyl]-1,4,8,11-tetraoxadispiro[4.1.47.35]tetradecane.
What is the SMILES notation for 6-methyl-6-[(E)-prop-1-enyl]-1,4,8,11-tetraoxadispiro[4.1.47.35]tetradecane?
The canonical SMILES for 6-methyl-6-[(E)-prop-1-enyl]-1,4,8,11-tetraoxadispiro[4.1.47.35]tetradecane is C/C=C/C1(C)C2(CCCC13OCCO3)OCCO2.
What is the InChIKey of 6-methyl-6-[(E)-prop-1-enyl]-1,4,8,11-tetraoxadispiro[4.1.47.35]tetradecane?
The InChIKey is BYAYANFJOCNYQN-HWKANZROSA-N. The full InChI is InChI=1S/C14H22O4/c1-3-5-12(2)13(15-8-9-16-13)6-4-7-14(12)17-10-11-18-14/h3,5H,4,6-11H2,1-2H3/b5-3+.
What are the key properties of 6-methyl-6-[(E)-prop-1-enyl]-1,4,8,11-tetraoxadispiro[4.1.47.35]tetradecane?
6-methyl-6-[(E)-prop-1-enyl]-1,4,8,11-tetraoxadispiro[4.1.47.35]tetradecane has a molecular weight of 254.33 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-[(E)-prop-1-enyl]-1,4,8,11-tetraoxadispiro[4.1.47.35]tetradecane is sourced from PubChem (CID 11436734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).