1,1-dibutoxycyclooctane

C16H32O2 — CID 18791994

IUPAC1,1-dibutoxycyclooctane
SMILESCCCCOC1(OCCCC)CCCCCCC1
InChIInChI=1S/C16H32O2/c1-3-5-14-17-16(18-15-6-4-2)12-10-8-7-9-11-13-16/h3-15H2,1-2H3
InChIKeyRAYSVJMIZKADSR-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.06
Rot. Bonds8

About 1,1-dibutoxycyclooctane

1,1-dibutoxycyclooctane (PubChem CID 18791994) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1,1-dibutoxycyclooctane.

Molecular Properties

Compound Name1,1-dibutoxycyclooctane
PubChem CID18791994
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name1,1-dibutoxycyclooctane
SMILESCCCCOC1(OCCCC)CCCCCCC1
InChIInChI=1S/C16H32O2/c1-3-5-14-17-16(18-15-6-4-2)12-10-8-7-9-11-13-16/h3-15H2,1-2H3
InChIKeyRAYSVJMIZKADSR-UHFFFAOYSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibutoxycyclooctane?
The IUPAC name of 1,1-dibutoxycyclooctane (CID 18791994) is 1,1-dibutoxycyclooctane.
What is the SMILES notation for 1,1-dibutoxycyclooctane?
The canonical SMILES for 1,1-dibutoxycyclooctane is CCCCOC1(OCCCC)CCCCCCC1.
What is the InChIKey of 1,1-dibutoxycyclooctane?
The InChIKey is RAYSVJMIZKADSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-3-5-14-17-16(18-15-6-4-2)12-10-8-7-9-11-13-16/h3-15H2,1-2H3.
What are the key properties of 1,1-dibutoxycyclooctane?
1,1-dibutoxycyclooctane has a molecular weight of 256.43 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutoxycyclooctane is sourced from PubChem (CID 18791994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).