4-[(6R)-1,2,2,3,6-pentamethylcyclohexyl]pentan-2-one

C16H30O — CID 156791302

IUPAC4-[(6R)-1,2,2,3,6-pentamethylcyclohexyl]pentan-2-one
SMILESCC(=O)CC(C)C1(C)[C@H](C)CCC(C)C1(C)C
InChIInChI=1S/C16H30O/c1-11-8-9-12(2)16(7,15(11,5)6)13(3)10-14(4)17/h11-13H,8-10H2,1-7H3/t11?,12-,13?,16?/m1/s1
InChIKeyBBKVXVVPGCWTDW-KRPNAXINSA-N
MW238.41 g/mol
LogP4.70
Rot. Bonds3

About 4-[(6R)-1,2,2,3,6-pentamethylcyclohexyl]pentan-2-one

4-[(6R)-1,2,2,3,6-pentamethylcyclohexyl]pentan-2-one (PubChem CID 156791302) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 4-[(6R)-1,2,2,3,6-pentamethylcyclohexyl]pentan-2-one.

Molecular Properties

Compound Name4-[(6R)-1,2,2,3,6-pentamethylcyclohexyl]pentan-2-one
PubChem CID156791302
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name4-[(6R)-1,2,2,3,6-pentamethylcyclohexyl]pentan-2-one
SMILESCC(=O)CC(C)C1(C)[C@H](C)CCC(C)C1(C)C
InChIInChI=1S/C16H30O/c1-11-8-9-12(2)16(7,15(11,5)6)13(3)10-14(4)17/h11-13H,8-10H2,1-7H3/t11?,12-,13?,16?/m1/s1
InChIKeyBBKVXVVPGCWTDW-KRPNAXINSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 174098586
CID 174098586
2-methyl-2-(4-oxopentan-2-yl)cyclohexane-1,3-dione
CID 13184068
1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone
CID 134856008
actinium;4-oxopentan-2-ylazanide
CID 20760022
1-(3-hydroxybut-1-ynyl)-2,2,3,6-tetramethylcyclohexan-1-ol
CID 23346562
(4S)-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-one
CID 13414271
(2S)-6-(iodomethyl)-2,5,5-trimethyl-2-[(2R)-4-oxopentan-2-yl]cyclohexan-1-one
CID 129233624
4-(3,5-dimethylcyclohexyl)pentan-2-one
CID 64729153
4-(cyclopropylmethoxy)pentan-2-one
CID 64697956
4-(4-methoxypiperidin-1-yl)pentan-2-one
CID 64699120
2,2,3,3,4-pentamethyloxane
CID 140691979
bis(cerium(3+));4-methylpentan-2-one;tris(oxygen(2-))
CID 158984879

Frequently Asked Questions

What is the IUPAC name of 4-[(6R)-1,2,2,3,6-pentamethylcyclohexyl]pentan-2-one?
The IUPAC name of 4-[(6R)-1,2,2,3,6-pentamethylcyclohexyl]pentan-2-one (CID 156791302) is 4-[(6R)-1,2,2,3,6-pentamethylcyclohexyl]pentan-2-one.
What is the SMILES notation for 4-[(6R)-1,2,2,3,6-pentamethylcyclohexyl]pentan-2-one?
The canonical SMILES for 4-[(6R)-1,2,2,3,6-pentamethylcyclohexyl]pentan-2-one is CC(=O)CC(C)C1(C)[C@H](C)CCC(C)C1(C)C.
What is the InChIKey of 4-[(6R)-1,2,2,3,6-pentamethylcyclohexyl]pentan-2-one?
The InChIKey is BBKVXVVPGCWTDW-KRPNAXINSA-N. The full InChI is InChI=1S/C16H30O/c1-11-8-9-12(2)16(7,15(11,5)6)13(3)10-14(4)17/h11-13H,8-10H2,1-7H3/t11?,12-,13?,16?/m1/s1.
What are the key properties of 4-[(6R)-1,2,2,3,6-pentamethylcyclohexyl]pentan-2-one?
4-[(6R)-1,2,2,3,6-pentamethylcyclohexyl]pentan-2-one has a molecular weight of 238.41 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6R)-1,2,2,3,6-pentamethylcyclohexyl]pentan-2-one is sourced from PubChem (CID 156791302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).