ethane;1-(1-methoxycyclopentyl)naphthalene

C18H24O — CID 91502072

IUPACethane;1-(1-methoxycyclopentyl)naphthalene
SMILESCC.COC1(c2cccc3ccccc23)CCCC1
InChIInChI=1S/C16H18O.C2H6/c1-17-16(11-4-5-12-16)15-10-6-8-13-7-2-3-9-14(13)15;1-2/h2-3,6-10H,4-5,11-12H2,1H3;1-2H3
InChIKeyIJMDWLLVMRAIBZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP5.28
Rot. Bonds2

About ethane;1-(1-methoxycyclopentyl)naphthalene

ethane;1-(1-methoxycyclopentyl)naphthalene (PubChem CID 91502072) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is ethane;1-(1-methoxycyclopentyl)naphthalene.

Molecular Properties

Compound Nameethane;1-(1-methoxycyclopentyl)naphthalene
PubChem CID91502072
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Nameethane;1-(1-methoxycyclopentyl)naphthalene
SMILESCC.COC1(c2cccc3ccccc23)CCCC1
InChIInChI=1S/C16H18O.C2H6/c1-17-16(11-4-5-12-16)15-10-6-8-13-7-2-3-9-14(13)15;1-2/h2-3,6-10H,4-5,11-12H2,1H3;1-2H3
InChIKeyIJMDWLLVMRAIBZ-UHFFFAOYSA-N
XLogP5.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-methoxycyclopentyl)naphthalene?
The IUPAC name of ethane;1-(1-methoxycyclopentyl)naphthalene (CID 91502072) is ethane;1-(1-methoxycyclopentyl)naphthalene.
What is the SMILES notation for ethane;1-(1-methoxycyclopentyl)naphthalene?
The canonical SMILES for ethane;1-(1-methoxycyclopentyl)naphthalene is CC.COC1(c2cccc3ccccc23)CCCC1.
What is the InChIKey of ethane;1-(1-methoxycyclopentyl)naphthalene?
The InChIKey is IJMDWLLVMRAIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O.C2H6/c1-17-16(11-4-5-12-16)15-10-6-8-13-7-2-3-9-14(13)15;1-2/h2-3,6-10H,4-5,11-12H2,1H3;1-2H3.
What are the key properties of ethane;1-(1-methoxycyclopentyl)naphthalene?
ethane;1-(1-methoxycyclopentyl)naphthalene has a molecular weight of 256.39 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-methoxycyclopentyl)naphthalene is sourced from PubChem (CID 91502072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).