butanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol

C12H24O4 — CID 67588053

IUPACbutanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol
SMILESCCCC(=O)O.OCC1(CO)CCCCC1
InChIInChI=1S/C8H16O2.C4H8O2/c9-6-8(7-10)4-2-1-3-5-8;1-2-3-4(5)6/h9-10H,1-7H2;2-3H2,1H3,(H,5,6)
InChIKeyYBBRRYBSRBTAPQ-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.79
Rot. Bonds4

About butanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol

butanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol (PubChem CID 67588053) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is butanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol.

Molecular Properties

Compound Namebutanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol
PubChem CID67588053
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Namebutanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol
SMILESCCCC(=O)O.OCC1(CO)CCCCC1
InChIInChI=1S/C8H16O2.C4H8O2/c9-6-8(7-10)4-2-1-3-5-8;1-2-3-4(5)6/h9-10H,1-7H2;2-3H2,1H3,(H,5,6)
InChIKeyYBBRRYBSRBTAPQ-UHFFFAOYSA-N
XLogP1.79
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

hexanedioic acid;tris([1-(hydroxymethyl)cyclodecyl]methanol)
CID 175890022
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
magnesium;butanoic acid;cyclohexane;hydride
CID 174620918
[1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid
CID 175865144
acetic acid;butanoic acid;cyclohexane
CID 69297326
butanoic acid;cyclohexane;propan-2-ol
CID 70428502
(1-ethylcycloheptyl)methanol
CID 56982411
sodium 2-[1-(hydroxymethyl)cyclohexyl]acetic acid
CID 162368007
[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
CID 22328250
azane;butanoic acid
CID 175057491
butanoic acid;heptahydrofluoride
CID 172757824
dialuminum;butanoic acid
CID 175897781

Frequently Asked Questions

What is the IUPAC name of butanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol?
The IUPAC name of butanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol (CID 67588053) is butanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol.
What is the SMILES notation for butanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol?
The canonical SMILES for butanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol is CCCC(=O)O.OCC1(CO)CCCCC1.
What is the InChIKey of butanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol?
The InChIKey is YBBRRYBSRBTAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C4H8O2/c9-6-8(7-10)4-2-1-3-5-8;1-2-3-4(5)6/h9-10H,1-7H2;2-3H2,1H3,(H,5,6).
What are the key properties of butanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol?
butanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol has a molecular weight of 232.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol is sourced from PubChem (CID 67588053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).