cis-(2R,3R)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentan-1-one

C14H26O — CID 11009208

IUPACcis-(2R,3R)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentan-1-one
SMILESCC(C)CCC[C@@H](C)[C@H]1CCC(=O)[C@@H]1C
InChIInChI=1S/C14H26O/c1-10(2)6-5-7-11(3)13-8-9-14(15)12(13)4/h10-13H,5-9H2,1-4H3/t11-,12-,13-/m1/s1
InChIKeyUENLQYRSTREKIY-JHJVBQTASA-N
MW210.36 g/mol
LogP4.06
Rot. Bonds5

About cis-(2R,3R)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentan-1-one

cis-(2R,3R)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentan-1-one (PubChem CID 11009208) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is cis-(2R,3R)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Namecis-(2R,3R)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentan-1-one
PubChem CID11009208
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Namecis-(2R,3R)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentan-1-one
SMILESCC(C)CCC[C@@H](C)[C@H]1CCC(=O)[C@@H]1C
InChIInChI=1S/C14H26O/c1-10(2)6-5-7-11(3)13-8-9-14(15)12(13)4/h10-13H,5-9H2,1-4H3/t11-,12-,13-/m1/s1
InChIKeyUENLQYRSTREKIY-JHJVBQTASA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Menthone
CID 26447
(+)-Isomenthone
CID 70962
Muskone
CID 10947
p-Menthan-3-one
CID 6986
Isomenthone, (+-)-
CID 6432469
2-sec-Butyl cyclohexanone
CID 61771
2,6,8-Trimethyl-4-nonanone
CID 61057
2-Heptylcyclopentanone
CID 8710
6,10-Dimethylundecan-2-one
CID 95495
(+)-Menthone
CID 443159
Cyclohexanone, 2-methyl-5-(1-methylethyl)-
CID 10362
2,2,5-Trimethyl-5-pentylcyclopentanone
CID 103402

Frequently Asked Questions

What is the IUPAC name of cis-(2R,3R)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentan-1-one?
The IUPAC name of cis-(2R,3R)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentan-1-one (CID 11009208) is cis-(2R,3R)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentan-1-one.
What is the SMILES notation for cis-(2R,3R)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentan-1-one?
The canonical SMILES for cis-(2R,3R)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentan-1-one is CC(C)CCC[C@@H](C)[C@H]1CCC(=O)[C@@H]1C.
What is the InChIKey of cis-(2R,3R)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentan-1-one?
The InChIKey is UENLQYRSTREKIY-JHJVBQTASA-N. The full InChI is InChI=1S/C14H26O/c1-10(2)6-5-7-11(3)13-8-9-14(15)12(13)4/h10-13H,5-9H2,1-4H3/t11-,12-,13-/m1/s1.
What are the key properties of cis-(2R,3R)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentan-1-one?
cis-(2R,3R)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentan-1-one has a molecular weight of 210.36 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3R)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentan-1-one is sourced from PubChem (CID 11009208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).