9,9-bis(methoxymethyl)cyclopenta[a]naphthalene

C17H18O2 — CID 87694154

IUPAC9,9-bis(methoxymethyl)cyclopenta[a]naphthalene
SMILESCOCC1(COC)C=CC=c2ccc3c(c21)C=CC=3
InChIInChI=1S/C17H18O2/c1-18-11-17(12-19-2)10-4-6-14-9-8-13-5-3-7-15(13)16(14)17/h3-10H,11-12H2,1-2H3
InChIKeyBUWKQEQXMRPBED-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.37
Rot. Bonds4

About 9,9-bis(methoxymethyl)cyclopenta[a]naphthalene

9,9-bis(methoxymethyl)cyclopenta[a]naphthalene (PubChem CID 87694154) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 9,9-bis(methoxymethyl)cyclopenta[a]naphthalene.

Molecular Properties

Compound Name9,9-bis(methoxymethyl)cyclopenta[a]naphthalene
PubChem CID87694154
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name9,9-bis(methoxymethyl)cyclopenta[a]naphthalene
SMILESCOCC1(COC)C=CC=c2ccc3c(c21)C=CC=3
InChIInChI=1S/C17H18O2/c1-18-11-17(12-19-2)10-4-6-14-9-8-13-5-3-7-15(13)16(14)17/h3-10H,11-12H2,1-2H3
InChIKeyBUWKQEQXMRPBED-UHFFFAOYSA-N
XLogP1.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,9-bis(methoxymethyl)cyclopenta[a]naphthalene?
The IUPAC name of 9,9-bis(methoxymethyl)cyclopenta[a]naphthalene (CID 87694154) is 9,9-bis(methoxymethyl)cyclopenta[a]naphthalene.
What is the SMILES notation for 9,9-bis(methoxymethyl)cyclopenta[a]naphthalene?
The canonical SMILES for 9,9-bis(methoxymethyl)cyclopenta[a]naphthalene is COCC1(COC)C=CC=c2ccc3c(c21)C=CC=3.
What is the InChIKey of 9,9-bis(methoxymethyl)cyclopenta[a]naphthalene?
The InChIKey is BUWKQEQXMRPBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-18-11-17(12-19-2)10-4-6-14-9-8-13-5-3-7-15(13)16(14)17/h3-10H,11-12H2,1-2H3.
What are the key properties of 9,9-bis(methoxymethyl)cyclopenta[a]naphthalene?
9,9-bis(methoxymethyl)cyclopenta[a]naphthalene has a molecular weight of 254.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(methoxymethyl)cyclopenta[a]naphthalene is sourced from PubChem (CID 87694154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).