bis[2-cyclopentyl-4-(1,3-dioxolan-2-yl)phenyl]methanone

C29H34O5 — CID 73011709

IUPACbis[2-cyclopentyl-4-(1,3-dioxolan-2-yl)phenyl]methanone
SMILESO=C(c1ccc(C2OCCO2)cc1C1CCCC1)c1ccc(C2OCCO2)cc1C1CCCC1
InChIInChI=1S/C29H34O5/c30-27(23-11-9-21(28-31-13-14-32-28)17-25(23)19-5-1-2-6-19)24-12-10-22(29-33-15-16-34-29)18-26(24)20-7-3-4-8-20/h9-12,17-20,28-29H,1-8,13-16H2
InChIKeyDDKZOFCQQWXPKY-UHFFFAOYSA-N
MW462.59 g/mol
LogP6.32
Rot. Bonds6

About bis[2-cyclopentyl-4-(1,3-dioxolan-2-yl)phenyl]methanone

bis[2-cyclopentyl-4-(1,3-dioxolan-2-yl)phenyl]methanone (PubChem CID 73011709) has the molecular formula C29H34O5 and a molecular weight of 462.59 g/mol. Its IUPAC name is bis[2-cyclopentyl-4-(1,3-dioxolan-2-yl)phenyl]methanone.

Molecular Properties

Compound Namebis[2-cyclopentyl-4-(1,3-dioxolan-2-yl)phenyl]methanone
PubChem CID73011709
Molecular FormulaC29H34O5
Molecular Weight462.59 g/mol
Exact Mass462.24
IUPAC Namebis[2-cyclopentyl-4-(1,3-dioxolan-2-yl)phenyl]methanone
SMILESO=C(c1ccc(C2OCCO2)cc1C1CCCC1)c1ccc(C2OCCO2)cc1C1CCCC1
InChIInChI=1S/C29H34O5/c30-27(23-11-9-21(28-31-13-14-32-28)17-25(23)19-5-1-2-6-19)24-12-10-22(29-33-15-16-34-29)18-26(24)20-7-3-4-8-20/h9-12,17-20,28-29H,1-8,13-16H2
InChIKeyDDKZOFCQQWXPKY-UHFFFAOYSA-N
XLogP6.32
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis[2-cyclopentyl-4-(morpholin-4-ylmethyl)phenyl]methanone
CID 73011711
bis[3-cyclohexyl-5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
CID 73011657
cyclopentyl-[4-(1,3-dioxolan-2-yl)phenyl]methanone
CID 24726750
bis[2-cyclopentyl-4-(piperidin-1-ylmethyl)phenyl]methanone
CID 73011712
2-cyclopentylterephthalic acid
CID 174865784
bis(4-tert-butyl-2-cyclopropylphenyl)methanone
CID 140968414
bis[2-cyclopentyl-4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 73011714
(2-cyclohexylphenyl)-(2-methylphenyl)methanone
CID 86030332
[4-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone
CID 24726701
(2-cyclohexyl-4-nitrophenyl)-phenylmethanone
CID 151612232
(2-cyclohexylphenyl)-phenylmethanone
CID 22506424
4-(1,3-dioxolan-2-yl)-2-fluorophenol
CID 18443673

Frequently Asked Questions

What is the IUPAC name of bis[2-cyclopentyl-4-(1,3-dioxolan-2-yl)phenyl]methanone?
The IUPAC name of bis[2-cyclopentyl-4-(1,3-dioxolan-2-yl)phenyl]methanone (CID 73011709) is bis[2-cyclopentyl-4-(1,3-dioxolan-2-yl)phenyl]methanone.
What is the SMILES notation for bis[2-cyclopentyl-4-(1,3-dioxolan-2-yl)phenyl]methanone?
The canonical SMILES for bis[2-cyclopentyl-4-(1,3-dioxolan-2-yl)phenyl]methanone is O=C(c1ccc(C2OCCO2)cc1C1CCCC1)c1ccc(C2OCCO2)cc1C1CCCC1.
What is the InChIKey of bis[2-cyclopentyl-4-(1,3-dioxolan-2-yl)phenyl]methanone?
The InChIKey is DDKZOFCQQWXPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34O5/c30-27(23-11-9-21(28-31-13-14-32-28)17-25(23)19-5-1-2-6-19)24-12-10-22(29-33-15-16-34-29)18-26(24)20-7-3-4-8-20/h9-12,17-20,28-29H,1-8,13-16H2.
What are the key properties of bis[2-cyclopentyl-4-(1,3-dioxolan-2-yl)phenyl]methanone?
bis[2-cyclopentyl-4-(1,3-dioxolan-2-yl)phenyl]methanone has a molecular weight of 462.59 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-cyclopentyl-4-(1,3-dioxolan-2-yl)phenyl]methanone is sourced from PubChem (CID 73011709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).