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

C7H14O5 — CID 59630573

IUPAC(1R,2S,4R,5S)-6-methylcyclohexane-1,2,3,4,5-pentol
SMILESCC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H14O5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h2-12H,1H3/t2?,3-,4+,5+,6-,7?
InChIKeyUYKMYUPVWOASSL-MVWKSXLKSA-N
MW178.18 g/mol
LogP-2.56
Rot. Bonds

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

(1R,2S,4R,5S)-6-methylcyclohexane-1,2,3,4,5-pentol (PubChem CID 59630573) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (1R,2S,4R,5S)-6-methylcyclohexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(1R,2S,4R,5S)-6-methylcyclohexane-1,2,3,4,5-pentol
PubChem CID59630573
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(1R,2S,4R,5S)-6-methylcyclohexane-1,2,3,4,5-pentol
SMILESCC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H14O5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h2-12H,1H3/t2?,3-,4+,5+,6-,7?
InChIKeyUYKMYUPVWOASSL-MVWKSXLKSA-N
XLogP-2.56
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-2.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5S)-6-methylcyclohexane-1,2,3,4,5-pentol?
The IUPAC name of (1R,2S,4R,5S)-6-methylcyclohexane-1,2,3,4,5-pentol (CID 59630573) is (1R,2S,4R,5S)-6-methylcyclohexane-1,2,3,4,5-pentol.
What is the SMILES notation for (1R,2S,4R,5S)-6-methylcyclohexane-1,2,3,4,5-pentol?
The canonical SMILES for (1R,2S,4R,5S)-6-methylcyclohexane-1,2,3,4,5-pentol is CC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O.
What is the InChIKey of (1R,2S,4R,5S)-6-methylcyclohexane-1,2,3,4,5-pentol?
The InChIKey is UYKMYUPVWOASSL-MVWKSXLKSA-N. The full InChI is InChI=1S/C7H14O5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h2-12H,1H3/t2?,3-,4+,5+,6-,7?.
What are the key properties of (1R,2S,4R,5S)-6-methylcyclohexane-1,2,3,4,5-pentol?
(1R,2S,4R,5S)-6-methylcyclohexane-1,2,3,4,5-pentol has a molecular weight of 178.18 g/mol, XLogP of -2.56, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5S)-6-methylcyclohexane-1,2,3,4,5-pentol is sourced from PubChem (CID 59630573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).