1,5-di(cyclobutyl)-1,5-bis(2-methylphenyl)pentan-3-one

C27H34O — CID 73011538

IUPAC1,5-di(cyclobutyl)-1,5-bis(2-methylphenyl)pentan-3-one
SMILESCc1ccccc1C(CC(=O)CC(c1ccccc1C)C1CCC1)C1CCC1
InChIInChI=1S/C27H34O/c1-19-9-3-5-15-24(19)26(21-11-7-12-21)17-23(28)18-27(22-13-8-14-22)25-16-6-4-10-20(25)2/h3-6,9-10,15-16,21-22,26-27H,7-8,11-14,17-18H2,1-2H3
InChIKeyRFMZPRMQVRJDTR-UHFFFAOYSA-N
MW374.57 g/mol
LogP7.12
Rot. Bonds8

About 1,5-di(cyclobutyl)-1,5-bis(2-methylphenyl)pentan-3-one

1,5-di(cyclobutyl)-1,5-bis(2-methylphenyl)pentan-3-one (PubChem CID 73011538) has the molecular formula C27H34O and a molecular weight of 374.57 g/mol. Its IUPAC name is 1,5-di(cyclobutyl)-1,5-bis(2-methylphenyl)pentan-3-one.

Molecular Properties

Compound Name1,5-di(cyclobutyl)-1,5-bis(2-methylphenyl)pentan-3-one
PubChem CID73011538
Molecular FormulaC27H34O
Molecular Weight374.57 g/mol
Exact Mass374.26
IUPAC Name1,5-di(cyclobutyl)-1,5-bis(2-methylphenyl)pentan-3-one
SMILESCc1ccccc1C(CC(=O)CC(c1ccccc1C)C1CCC1)C1CCC1
InChIInChI=1S/C27H34O/c1-19-9-3-5-15-24(19)26(21-11-7-12-21)17-23(28)18-27(22-13-8-14-22)25-16-6-4-10-20(25)2/h3-6,9-10,15-16,21-22,26-27H,7-8,11-14,17-18H2,1-2H3
InChIKeyRFMZPRMQVRJDTR-UHFFFAOYSA-N
XLogP7.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one
CID 73011663
(1R,5S)-1,5-dicyclopentyl-1,5-bis(2,3-dimethylphenyl)pentan-3-one
CID 97304244
3-cyclopentyl-3-(2-methylphenyl)propanamide
CID 82082222
(1S,5S)-1,5-dicyclopropyl-1,5-bis(2,3-dimethylphenyl)pentan-3-one
CID 97304291
(1S,5R)-1,5-di(cyclobutyl)-1,5-bis(2,4-dimethylphenyl)pentan-3-one
CID 97304157
3-cyclopropyl-3-(2-methylphenyl)propanamide
CID 82076759
(1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 97304257
1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 73011662
(1R,5R)-1,5-dicyclohexyl-1,5-bis(2,4-dimethylphenyl)pentan-3-one
CID 97304203
1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 73011725
2-cyclobutyl-2-(2-methylphenyl)acetic acid
CID 83687024
1,5-di(cyclobutyl)-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 73011541

Frequently Asked Questions

What is the IUPAC name of 1,5-di(cyclobutyl)-1,5-bis(2-methylphenyl)pentan-3-one?
The IUPAC name of 1,5-di(cyclobutyl)-1,5-bis(2-methylphenyl)pentan-3-one (CID 73011538) is 1,5-di(cyclobutyl)-1,5-bis(2-methylphenyl)pentan-3-one.
What is the SMILES notation for 1,5-di(cyclobutyl)-1,5-bis(2-methylphenyl)pentan-3-one?
The canonical SMILES for 1,5-di(cyclobutyl)-1,5-bis(2-methylphenyl)pentan-3-one is Cc1ccccc1C(CC(=O)CC(c1ccccc1C)C1CCC1)C1CCC1.
What is the InChIKey of 1,5-di(cyclobutyl)-1,5-bis(2-methylphenyl)pentan-3-one?
The InChIKey is RFMZPRMQVRJDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34O/c1-19-9-3-5-15-24(19)26(21-11-7-12-21)17-23(28)18-27(22-13-8-14-22)25-16-6-4-10-20(25)2/h3-6,9-10,15-16,21-22,26-27H,7-8,11-14,17-18H2,1-2H3.
What are the key properties of 1,5-di(cyclobutyl)-1,5-bis(2-methylphenyl)pentan-3-one?
1,5-di(cyclobutyl)-1,5-bis(2-methylphenyl)pentan-3-one has a molecular weight of 374.57 g/mol, XLogP of 7.12, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(cyclobutyl)-1,5-bis(2-methylphenyl)pentan-3-one is sourced from PubChem (CID 73011538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).