1,2-bis(prop-2-ynoxy)-1,2-dihydrocyclobuta[b]naphthalene

C18H14O2 — CID 155470800

IUPAC1,2-bis(prop-2-ynoxy)-1,2-dihydrocyclobuta[b]naphthalene
SMILESC#CCOC1c2cc3ccccc3cc2C1OCC#C
InChIInChI=1S/C18H14O2/c1-3-9-19-17-15-11-13-7-5-6-8-14(13)12-16(15)18(17)20-10-4-2/h1-2,5-8,11-12,17-18H,9-10H2
InChIKeyAZPQJUXXDZAFTL-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.24
Rot. Bonds4

About 1,2-bis(prop-2-ynoxy)-1,2-dihydrocyclobuta[b]naphthalene

1,2-bis(prop-2-ynoxy)-1,2-dihydrocyclobuta[b]naphthalene (PubChem CID 155470800) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1,2-bis(prop-2-ynoxy)-1,2-dihydrocyclobuta[b]naphthalene.

Molecular Properties

Compound Name1,2-bis(prop-2-ynoxy)-1,2-dihydrocyclobuta[b]naphthalene
PubChem CID155470800
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name1,2-bis(prop-2-ynoxy)-1,2-dihydrocyclobuta[b]naphthalene
SMILESC#CCOC1c2cc3ccccc3cc2C1OCC#C
InChIInChI=1S/C18H14O2/c1-3-9-19-17-15-11-13-7-5-6-8-14(13)12-16(15)18(17)20-10-4-2/h1-2,5-8,11-12,17-18H,9-10H2
InChIKeyAZPQJUXXDZAFTL-UHFFFAOYSA-N
XLogP3.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(prop-2-ynoxy)-1,2-dihydrocyclobuta[b]naphthalene?
The IUPAC name of 1,2-bis(prop-2-ynoxy)-1,2-dihydrocyclobuta[b]naphthalene (CID 155470800) is 1,2-bis(prop-2-ynoxy)-1,2-dihydrocyclobuta[b]naphthalene.
What is the SMILES notation for 1,2-bis(prop-2-ynoxy)-1,2-dihydrocyclobuta[b]naphthalene?
The canonical SMILES for 1,2-bis(prop-2-ynoxy)-1,2-dihydrocyclobuta[b]naphthalene is C#CCOC1c2cc3ccccc3cc2C1OCC#C.
What is the InChIKey of 1,2-bis(prop-2-ynoxy)-1,2-dihydrocyclobuta[b]naphthalene?
The InChIKey is AZPQJUXXDZAFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c1-3-9-19-17-15-11-13-7-5-6-8-14(13)12-16(15)18(17)20-10-4-2/h1-2,5-8,11-12,17-18H,9-10H2.
What are the key properties of 1,2-bis(prop-2-ynoxy)-1,2-dihydrocyclobuta[b]naphthalene?
1,2-bis(prop-2-ynoxy)-1,2-dihydrocyclobuta[b]naphthalene has a molecular weight of 262.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-ynoxy)-1,2-dihydrocyclobuta[b]naphthalene is sourced from PubChem (CID 155470800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).