1-[(1-hydroxycyclohexyl)methylsulfinylmethyl]cyclohexan-1-ol

C14H26O3S — CID 86090919

IUPAC1-[(1-hydroxycyclohexyl)methylsulfinylmethyl]cyclohexan-1-ol
SMILESO=S(CC1(O)CCCCC1)CC1(O)CCCCC1
InChIInChI=1S/C14H26O3S/c15-13(7-3-1-4-8-13)11-18(17)12-14(16)9-5-2-6-10-14/h15-16H,1-12H2
InChIKeyCNBRMRUTNUJGQG-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.13
Rot. Bonds4

About 1-[(1-hydroxycyclohexyl)methylsulfinylmethyl]cyclohexan-1-ol

1-[(1-hydroxycyclohexyl)methylsulfinylmethyl]cyclohexan-1-ol (PubChem CID 86090919) has the molecular formula C14H26O3S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-[(1-hydroxycyclohexyl)methylsulfinylmethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-hydroxycyclohexyl)methylsulfinylmethyl]cyclohexan-1-ol
PubChem CID86090919
Molecular FormulaC14H26O3S
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name1-[(1-hydroxycyclohexyl)methylsulfinylmethyl]cyclohexan-1-ol
SMILESO=S(CC1(O)CCCCC1)CC1(O)CCCCC1
InChIInChI=1S/C14H26O3S/c15-13(7-3-1-4-8-13)11-18(17)12-14(16)9-5-2-6-10-14/h15-16H,1-12H2
InChIKeyCNBRMRUTNUJGQG-UHFFFAOYSA-N
XLogP2.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclohexyl)methylsulfinylmethyl]cyclohexan-1-ol?
The IUPAC name of 1-[(1-hydroxycyclohexyl)methylsulfinylmethyl]cyclohexan-1-ol (CID 86090919) is 1-[(1-hydroxycyclohexyl)methylsulfinylmethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1-hydroxycyclohexyl)methylsulfinylmethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1-hydroxycyclohexyl)methylsulfinylmethyl]cyclohexan-1-ol is O=S(CC1(O)CCCCC1)CC1(O)CCCCC1.
What is the InChIKey of 1-[(1-hydroxycyclohexyl)methylsulfinylmethyl]cyclohexan-1-ol?
The InChIKey is CNBRMRUTNUJGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3S/c15-13(7-3-1-4-8-13)11-18(17)12-14(16)9-5-2-6-10-14/h15-16H,1-12H2.
What are the key properties of 1-[(1-hydroxycyclohexyl)methylsulfinylmethyl]cyclohexan-1-ol?
1-[(1-hydroxycyclohexyl)methylsulfinylmethyl]cyclohexan-1-ol has a molecular weight of 274.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclohexyl)methylsulfinylmethyl]cyclohexan-1-ol is sourced from PubChem (CID 86090919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).