(1S,2R,4S,5R)-6-propan-2-ylcyclohexane-1,2,3,4,5-pentol

C9H18O5 — CID 171442655

IUPAC(1S,2R,4S,5R)-6-propan-2-ylcyclohexane-1,2,3,4,5-pentol
SMILESCC(C)C1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C9H18O5/c1-3(2)4-5(10)7(12)9(14)8(13)6(4)11/h3-14H,1-2H3/t4?,5-,6+,7+,8-,9?
InChIKeyUBIFGDVFNGMPQP-RHQBDSIZSA-N
MW206.24 g/mol
LogP-1.92
Rot. Bonds1

About (1S,2R,4S,5R)-6-propan-2-ylcyclohexane-1,2,3,4,5-pentol

(1S,2R,4S,5R)-6-propan-2-ylcyclohexane-1,2,3,4,5-pentol (PubChem CID 171442655) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is (1S,2R,4S,5R)-6-propan-2-ylcyclohexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(1S,2R,4S,5R)-6-propan-2-ylcyclohexane-1,2,3,4,5-pentol
PubChem CID171442655
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name(1S,2R,4S,5R)-6-propan-2-ylcyclohexane-1,2,3,4,5-pentol
SMILESCC(C)C1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C9H18O5/c1-3(2)4-5(10)7(12)9(14)8(13)6(4)11/h3-14H,1-2H3/t4?,5-,6+,7+,8-,9?
InChIKeyUBIFGDVFNGMPQP-RHQBDSIZSA-N
XLogP-1.92
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-1.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S,5R)-6-propan-2-ylcyclohexane-1,2,3,4,5-pentol?
The IUPAC name of (1S,2R,4S,5R)-6-propan-2-ylcyclohexane-1,2,3,4,5-pentol (CID 171442655) is (1S,2R,4S,5R)-6-propan-2-ylcyclohexane-1,2,3,4,5-pentol.
What is the SMILES notation for (1S,2R,4S,5R)-6-propan-2-ylcyclohexane-1,2,3,4,5-pentol?
The canonical SMILES for (1S,2R,4S,5R)-6-propan-2-ylcyclohexane-1,2,3,4,5-pentol is CC(C)C1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O.
What is the InChIKey of (1S,2R,4S,5R)-6-propan-2-ylcyclohexane-1,2,3,4,5-pentol?
The InChIKey is UBIFGDVFNGMPQP-RHQBDSIZSA-N. The full InChI is InChI=1S/C9H18O5/c1-3(2)4-5(10)7(12)9(14)8(13)6(4)11/h3-14H,1-2H3/t4?,5-,6+,7+,8-,9?.
What are the key properties of (1S,2R,4S,5R)-6-propan-2-ylcyclohexane-1,2,3,4,5-pentol?
(1S,2R,4S,5R)-6-propan-2-ylcyclohexane-1,2,3,4,5-pentol has a molecular weight of 206.24 g/mol, XLogP of -1.92, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,5R)-6-propan-2-ylcyclohexane-1,2,3,4,5-pentol is sourced from PubChem (CID 171442655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).