[1-(hydroxymethyl)-3,3-di(propan-2-yl)cyclobutyl]methanol

C12H24O2 — CID 175711075

IUPAC[1-(hydroxymethyl)-3,3-di(propan-2-yl)cyclobutyl]methanol
SMILESCC(C)C1(C(C)C)CC(CO)(CO)C1
InChIInChI=1S/C12H24O2/c1-9(2)12(10(3)4)5-11(6-12,7-13)8-14/h9-10,13-14H,5-8H2,1-4H3
InChIKeyNVDXMBYJESGNPE-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.05
Rot. Bonds4

About [1-(hydroxymethyl)-3,3-di(propan-2-yl)cyclobutyl]methanol

[1-(hydroxymethyl)-3,3-di(propan-2-yl)cyclobutyl]methanol (PubChem CID 175711075) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is [1-(hydroxymethyl)-3,3-di(propan-2-yl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(hydroxymethyl)-3,3-di(propan-2-yl)cyclobutyl]methanol
PubChem CID175711075
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name[1-(hydroxymethyl)-3,3-di(propan-2-yl)cyclobutyl]methanol
SMILESCC(C)C1(C(C)C)CC(CO)(CO)C1
InChIInChI=1S/C12H24O2/c1-9(2)12(10(3)4)5-11(6-12,7-13)8-14/h9-10,13-14H,5-8H2,1-4H3
InChIKeyNVDXMBYJESGNPE-UHFFFAOYSA-N
XLogP2.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)-3,3-di(propan-2-yl)cyclobutyl]methanol?
The IUPAC name of [1-(hydroxymethyl)-3,3-di(propan-2-yl)cyclobutyl]methanol (CID 175711075) is [1-(hydroxymethyl)-3,3-di(propan-2-yl)cyclobutyl]methanol.
What is the SMILES notation for [1-(hydroxymethyl)-3,3-di(propan-2-yl)cyclobutyl]methanol?
The canonical SMILES for [1-(hydroxymethyl)-3,3-di(propan-2-yl)cyclobutyl]methanol is CC(C)C1(C(C)C)CC(CO)(CO)C1.
What is the InChIKey of [1-(hydroxymethyl)-3,3-di(propan-2-yl)cyclobutyl]methanol?
The InChIKey is NVDXMBYJESGNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-9(2)12(10(3)4)5-11(6-12,7-13)8-14/h9-10,13-14H,5-8H2,1-4H3.
What are the key properties of [1-(hydroxymethyl)-3,3-di(propan-2-yl)cyclobutyl]methanol?
[1-(hydroxymethyl)-3,3-di(propan-2-yl)cyclobutyl]methanol has a molecular weight of 200.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)-3,3-di(propan-2-yl)cyclobutyl]methanol is sourced from PubChem (CID 175711075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).