(5R,6S,7R,8R)-6-cyclohexyl-5,6,7,8,9-pentahydroxynonan-4-one

C15H28O6 — CID 174961698

IUPAC(5R,6S,7R,8R)-6-cyclohexyl-5,6,7,8,9-pentahydroxynonan-4-one
SMILESCCCC(=O)[C@H](O)[C@](O)(C1CCCCC1)[C@H](O)[C@H](O)CO
InChIInChI=1S/C15H28O6/c1-2-6-11(17)13(19)15(21,14(20)12(18)9-16)10-7-4-3-5-8-10/h10,12-14,16,18-21H,2-9H2,1H3/t12-,13+,14-,15-/m1/s1
InChIKeyDNMJTLFBSGYETA-LXTVHRRPSA-N
MW304.38 g/mol
LogP-0.26
Rot. Bonds8

About (5R,6S,7R,8R)-6-cyclohexyl-5,6,7,8,9-pentahydroxynonan-4-one

(5R,6S,7R,8R)-6-cyclohexyl-5,6,7,8,9-pentahydroxynonan-4-one (PubChem CID 174961698) has the molecular formula C15H28O6 and a molecular weight of 304.38 g/mol. Its IUPAC name is (5R,6S,7R,8R)-6-cyclohexyl-5,6,7,8,9-pentahydroxynonan-4-one.

Molecular Properties

Compound Name(5R,6S,7R,8R)-6-cyclohexyl-5,6,7,8,9-pentahydroxynonan-4-one
PubChem CID174961698
Molecular FormulaC15H28O6
Molecular Weight304.38 g/mol
Exact Mass304.19
IUPAC Name(5R,6S,7R,8R)-6-cyclohexyl-5,6,7,8,9-pentahydroxynonan-4-one
SMILESCCCC(=O)[C@H](O)[C@](O)(C1CCCCC1)[C@H](O)[C@H](O)CO
InChIInChI=1S/C15H28O6/c1-2-6-11(17)13(19)15(21,14(20)12(18)9-16)10-7-4-3-5-8-10/h10,12-14,16,18-21H,2-9H2,1H3/t12-,13+,14-,15-/m1/s1
InChIKeyDNMJTLFBSGYETA-LXTVHRRPSA-N
XLogP-0.26
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 5-0.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (5R,6S,7R,8R)-6-cyclohexyl-5,6,7,8,9-pentahydroxynonan-4-one with MolForge

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Launch Full Analysis

Related Compounds

(6R)-6-bromo-5,6,7,8,9-pentahydroxynonan-4-one
CID 175187941
2-methylhexan-3-one;propan-2-ylcyclohexane
CID 166117967
(5S,6R,7R,8R)-6-bromo-1-deuterio-5,6,7,8,9-pentahydroxynonan-4-one
CID 162371310
2,2-dicyclohexyl-3-propylbutane-1,4-diol
CID 121316982
1-cycloheptylbutan-1-one
CID 54353743
4-amino-6-cyclopentyl-6-methylheptan-3-one
CID 142123412
1-cycloheptyl-1-ethoxypentan-2-one
CID 83226001
3-cyclopentyl-2,4-dimethylpentan-3-ol
CID 130529014
4-cycloheptylheptan-4-ol
CID 114866126
1-cyclohexylhexan-3-one
CID 10856142
propyl 4-cyclopentyl-4-hydroxybutanoate
CID 62071388
1-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]butan-1-one
CID 165439552

Frequently Asked Questions

What is the IUPAC name of (5R,6S,7R,8R)-6-cyclohexyl-5,6,7,8,9-pentahydroxynonan-4-one?
The IUPAC name of (5R,6S,7R,8R)-6-cyclohexyl-5,6,7,8,9-pentahydroxynonan-4-one (CID 174961698) is (5R,6S,7R,8R)-6-cyclohexyl-5,6,7,8,9-pentahydroxynonan-4-one.
What is the SMILES notation for (5R,6S,7R,8R)-6-cyclohexyl-5,6,7,8,9-pentahydroxynonan-4-one?
The canonical SMILES for (5R,6S,7R,8R)-6-cyclohexyl-5,6,7,8,9-pentahydroxynonan-4-one is CCCC(=O)[C@H](O)[C@](O)(C1CCCCC1)[C@H](O)[C@H](O)CO.
What is the InChIKey of (5R,6S,7R,8R)-6-cyclohexyl-5,6,7,8,9-pentahydroxynonan-4-one?
The InChIKey is DNMJTLFBSGYETA-LXTVHRRPSA-N. The full InChI is InChI=1S/C15H28O6/c1-2-6-11(17)13(19)15(21,14(20)12(18)9-16)10-7-4-3-5-8-10/h10,12-14,16,18-21H,2-9H2,1H3/t12-,13+,14-,15-/m1/s1.
What are the key properties of (5R,6S,7R,8R)-6-cyclohexyl-5,6,7,8,9-pentahydroxynonan-4-one?
(5R,6S,7R,8R)-6-cyclohexyl-5,6,7,8,9-pentahydroxynonan-4-one has a molecular weight of 304.38 g/mol, XLogP of -0.26, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,7R,8R)-6-cyclohexyl-5,6,7,8,9-pentahydroxynonan-4-one is sourced from PubChem (CID 174961698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).