[1-methyl-2-(2-methylpropyl)cyclopropyl]methanetriol

C9H18O3 — CID 57285416

IUPAC[1-methyl-2-(2-methylpropyl)cyclopropyl]methanetriol
SMILESCC(C)CC1CC1(C)C(O)(O)O
InChIInChI=1S/C9H18O3/c1-6(2)4-7-5-8(7,3)9(10,11)12/h6-7,10-12H,4-5H2,1-3H3
InChIKeyHKTQNUWTTZMFGW-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.69
Rot. Bonds3

About [1-methyl-2-(2-methylpropyl)cyclopropyl]methanetriol

[1-methyl-2-(2-methylpropyl)cyclopropyl]methanetriol (PubChem CID 57285416) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is [1-methyl-2-(2-methylpropyl)cyclopropyl]methanetriol.

Molecular Properties

Compound Name[1-methyl-2-(2-methylpropyl)cyclopropyl]methanetriol
PubChem CID57285416
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name[1-methyl-2-(2-methylpropyl)cyclopropyl]methanetriol
SMILESCC(C)CC1CC1(C)C(O)(O)O
InChIInChI=1S/C9H18O3/c1-6(2)4-7-5-8(7,3)9(10,11)12/h6-7,10-12H,4-5H2,1-3H3
InChIKeyHKTQNUWTTZMFGW-UHFFFAOYSA-N
XLogP0.69
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(2-methylpropyl)cyclopropyl]methanetriol?
The IUPAC name of [1-methyl-2-(2-methylpropyl)cyclopropyl]methanetriol (CID 57285416) is [1-methyl-2-(2-methylpropyl)cyclopropyl]methanetriol.
What is the SMILES notation for [1-methyl-2-(2-methylpropyl)cyclopropyl]methanetriol?
The canonical SMILES for [1-methyl-2-(2-methylpropyl)cyclopropyl]methanetriol is CC(C)CC1CC1(C)C(O)(O)O.
What is the InChIKey of [1-methyl-2-(2-methylpropyl)cyclopropyl]methanetriol?
The InChIKey is HKTQNUWTTZMFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-6(2)4-7-5-8(7,3)9(10,11)12/h6-7,10-12H,4-5H2,1-3H3.
What are the key properties of [1-methyl-2-(2-methylpropyl)cyclopropyl]methanetriol?
[1-methyl-2-(2-methylpropyl)cyclopropyl]methanetriol has a molecular weight of 174.24 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(2-methylpropyl)cyclopropyl]methanetriol is sourced from PubChem (CID 57285416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).