[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol

C24H46O2 — CID 22328250

IUPAC[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
SMILESOCC1(C2(CO)CCCCCCCCCC2)CCCCCCCCCC1
InChIInChI=1S/C24H46O2/c25-21-23(17-13-9-5-1-2-6-10-14-18-23)24(22-26)19-15-11-7-3-4-8-12-16-20-24/h25-26H,1-22H2
InChIKeyWPBCFBGQRHZARP-UHFFFAOYSA-N
MW366.63 g/mol
LogP6.77
Rot. Bonds3

About [1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol

[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol (PubChem CID 22328250) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is [1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol.

Molecular Properties

Compound Name[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
PubChem CID22328250
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
SMILESOCC1(C2(CO)CCCCCCCCCC2)CCCCCCCCCC1
InChIInChI=1S/C24H46O2/c25-21-23(17-13-9-5-1-2-6-10-14-18-23)24(22-26)19-15-11-7-3-4-8-12-16-20-24/h25-26H,1-22H2
InChIKeyWPBCFBGQRHZARP-UHFFFAOYSA-N
XLogP6.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol?
The IUPAC name of [1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol (CID 22328250) is [1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol.
What is the SMILES notation for [1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol?
The canonical SMILES for [1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol is OCC1(C2(CO)CCCCCCCCCC2)CCCCCCCCCC1.
What is the InChIKey of [1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol?
The InChIKey is WPBCFBGQRHZARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2/c25-21-23(17-13-9-5-1-2-6-10-14-18-23)24(22-26)19-15-11-7-3-4-8-12-16-20-24/h25-26H,1-22H2.
What are the key properties of [1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol?
[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol has a molecular weight of 366.63 g/mol, XLogP of 6.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol is sourced from PubChem (CID 22328250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).