1,4-dioxaspiro[4.16]henicosa-12,13-diene

C19H32O2 — CID 11277786

IUPAC1,4-dioxaspiro[4.16]henicosa-12,13-diene
SMILESC1=CCCCCCCCC2(CCCCCCC=1)OCCO2
InChIInChI=1S/C19H32O2/c1-2-4-6-8-10-12-14-16-19(20-17-18-21-19)15-13-11-9-7-5-3-1/h1,4H,3,5-18H2
InChIKeyKHONLZYOQUJUSD-UHFFFAOYSA-N
MW292.46 g/mol
LogP5.53
Rot. Bonds

About 1,4-dioxaspiro[4.16]henicosa-12,13-diene

1,4-dioxaspiro[4.16]henicosa-12,13-diene (PubChem CID 11277786) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.16]henicosa-12,13-diene.

Molecular Properties

Compound Name1,4-dioxaspiro[4.16]henicosa-12,13-diene
PubChem CID11277786
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name1,4-dioxaspiro[4.16]henicosa-12,13-diene
SMILESC1=CCCCCCCCC2(CCCCCCC=1)OCCO2
InChIInChI=1S/C19H32O2/c1-2-4-6-8-10-12-14-16-19(20-17-18-21-19)15-13-11-9-7-5-3-1/h1,4H,3,5-18H2
InChIKeyKHONLZYOQUJUSD-UHFFFAOYSA-N
XLogP5.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.16]henicosa-12,13-diene?
The IUPAC name of 1,4-dioxaspiro[4.16]henicosa-12,13-diene (CID 11277786) is 1,4-dioxaspiro[4.16]henicosa-12,13-diene.
What is the SMILES notation for 1,4-dioxaspiro[4.16]henicosa-12,13-diene?
The canonical SMILES for 1,4-dioxaspiro[4.16]henicosa-12,13-diene is C1=CCCCCCCCC2(CCCCCCC=1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.16]henicosa-12,13-diene?
The InChIKey is KHONLZYOQUJUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-2-4-6-8-10-12-14-16-19(20-17-18-21-19)15-13-11-9-7-5-3-1/h1,4H,3,5-18H2.
What are the key properties of 1,4-dioxaspiro[4.16]henicosa-12,13-diene?
1,4-dioxaspiro[4.16]henicosa-12,13-diene has a molecular weight of 292.46 g/mol, XLogP of 5.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.16]henicosa-12,13-diene is sourced from PubChem (CID 11277786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).