(6R)-6-[(1R,2R,3R)-3-(hydroxymethyl)-2-methyl-2-propylcyclopentyl]-2-methylheptan-2-ol

C18H36O2 — CID 59054981

IUPAC(6R)-6-[(1R,2R,3R)-3-(hydroxymethyl)-2-methyl-2-propylcyclopentyl]-2-methylheptan-2-ol
SMILESCCC[C@@]1(C)[C@H](CO)CC[C@@H]1[C@H](C)CCCC(C)(C)O
InChIInChI=1S/C18H36O2/c1-6-11-18(5)15(13-19)9-10-16(18)14(2)8-7-12-17(3,4)20/h14-16,19-20H,6-13H2,1-5H3/t14-,15+,16-,18+/m1/s1
InChIKeyRQCBTQJKINYXJF-HPFXQQBRSA-N
MW284.48 g/mol
LogP4.39
Rot. Bonds8

About (6R)-6-[(1R,2R,3R)-3-(hydroxymethyl)-2-methyl-2-propylcyclopentyl]-2-methylheptan-2-ol

(6R)-6-[(1R,2R,3R)-3-(hydroxymethyl)-2-methyl-2-propylcyclopentyl]-2-methylheptan-2-ol (PubChem CID 59054981) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is (6R)-6-[(1R,2R,3R)-3-(hydroxymethyl)-2-methyl-2-propylcyclopentyl]-2-methylheptan-2-ol.

Molecular Properties

Compound Name(6R)-6-[(1R,2R,3R)-3-(hydroxymethyl)-2-methyl-2-propylcyclopentyl]-2-methylheptan-2-ol
PubChem CID59054981
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name(6R)-6-[(1R,2R,3R)-3-(hydroxymethyl)-2-methyl-2-propylcyclopentyl]-2-methylheptan-2-ol
SMILESCCC[C@@]1(C)[C@H](CO)CC[C@@H]1[C@H](C)CCCC(C)(C)O
InChIInChI=1S/C18H36O2/c1-6-11-18(5)15(13-19)9-10-16(18)14(2)8-7-12-17(3,4)20/h14-16,19-20H,6-13H2,1-5H3/t14-,15+,16-,18+/m1/s1
InChIKeyRQCBTQJKINYXJF-HPFXQQBRSA-N
XLogP4.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.48
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(1R,2R,3R)-3-(hydroxymethyl)-2-methyl-2-propylcyclopentyl]-2-methylheptan-2-ol?
The IUPAC name of (6R)-6-[(1R,2R,3R)-3-(hydroxymethyl)-2-methyl-2-propylcyclopentyl]-2-methylheptan-2-ol (CID 59054981) is (6R)-6-[(1R,2R,3R)-3-(hydroxymethyl)-2-methyl-2-propylcyclopentyl]-2-methylheptan-2-ol.
What is the SMILES notation for (6R)-6-[(1R,2R,3R)-3-(hydroxymethyl)-2-methyl-2-propylcyclopentyl]-2-methylheptan-2-ol?
The canonical SMILES for (6R)-6-[(1R,2R,3R)-3-(hydroxymethyl)-2-methyl-2-propylcyclopentyl]-2-methylheptan-2-ol is CCC[C@@]1(C)[C@H](CO)CC[C@@H]1[C@H](C)CCCC(C)(C)O.
What is the InChIKey of (6R)-6-[(1R,2R,3R)-3-(hydroxymethyl)-2-methyl-2-propylcyclopentyl]-2-methylheptan-2-ol?
The InChIKey is RQCBTQJKINYXJF-HPFXQQBRSA-N. The full InChI is InChI=1S/C18H36O2/c1-6-11-18(5)15(13-19)9-10-16(18)14(2)8-7-12-17(3,4)20/h14-16,19-20H,6-13H2,1-5H3/t14-,15+,16-,18+/m1/s1.
What are the key properties of (6R)-6-[(1R,2R,3R)-3-(hydroxymethyl)-2-methyl-2-propylcyclopentyl]-2-methylheptan-2-ol?
(6R)-6-[(1R,2R,3R)-3-(hydroxymethyl)-2-methyl-2-propylcyclopentyl]-2-methylheptan-2-ol has a molecular weight of 284.48 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(1R,2R,3R)-3-(hydroxymethyl)-2-methyl-2-propylcyclopentyl]-2-methylheptan-2-ol is sourced from PubChem (CID 59054981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).