8-tert-butyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene

C18H29NO — CID 130220365

IUPAC8-tert-butyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESC/C=C\C1=C(/C=C\C)C2(CCN(C(C)(C)C)CC2)OC1
InChIInChI=1S/C18H29NO/c1-6-8-15-14-20-18(16(15)9-7-2)10-12-19(13-11-18)17(3,4)5/h6-9H,10-14H2,1-5H3/b8-6-,9-7-
InChIKeyMYRYNUZBRFDYMH-VRHVFUOLSA-N
MW275.44 g/mol
LogP4.10
Rot. Bonds2

About 8-tert-butyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene

8-tert-butyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene (PubChem CID 130220365) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 8-tert-butyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name8-tert-butyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
PubChem CID130220365
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name8-tert-butyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESC/C=C\C1=C(/C=C\C)C2(CCN(C(C)(C)C)CC2)OC1
InChIInChI=1S/C18H29NO/c1-6-8-15-14-20-18(16(15)9-7-2)10-12-19(13-11-18)17(3,4)5/h6-9H,10-14H2,1-5H3/b8-6-,9-7-
InChIKeyMYRYNUZBRFDYMH-VRHVFUOLSA-N
XLogP4.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 8-tert-butyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene (CID 130220365) is 8-tert-butyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 8-tert-butyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 8-tert-butyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene is C/C=C\C1=C(/C=C\C)C2(CCN(C(C)(C)C)CC2)OC1.
What is the InChIKey of 8-tert-butyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene?
The InChIKey is MYRYNUZBRFDYMH-VRHVFUOLSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-8-15-14-20-18(16(15)9-7-2)10-12-19(13-11-18)17(3,4)5/h6-9H,10-14H2,1-5H3/b8-6-,9-7-.
What are the key properties of 8-tert-butyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene?
8-tert-butyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene has a molecular weight of 275.44 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 130220365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).