(2-tert-butylcyclopropyl)methanol

C8H16O — CID 85299219

IUPAC(2-tert-butylcyclopropyl)methanol
SMILESCC(C)(C)C1CC1CO
InChIInChI=1S/C8H16O/c1-8(2,3)7-4-6(7)5-9/h6-7,9H,4-5H2,1-3H3
InChIKeyYDZZGNVEEWKQCQ-UHFFFAOYSA-N
MW128.21 g/mol
LogP1.66
Rot. Bonds1

About (2-tert-butylcyclopropyl)methanol

(2-tert-butylcyclopropyl)methanol (PubChem CID 85299219) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (2-tert-butylcyclopropyl)methanol.

Molecular Properties

Compound Name(2-tert-butylcyclopropyl)methanol
PubChem CID85299219
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(2-tert-butylcyclopropyl)methanol
SMILESCC(C)(C)C1CC1CO
InChIInChI=1S/C8H16O/c1-8(2,3)7-4-6(7)5-9/h6-7,9H,4-5H2,1-3H3
InChIKeyYDZZGNVEEWKQCQ-UHFFFAOYSA-N
XLogP1.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butylcyclopropyl)methanol?
The IUPAC name of (2-tert-butylcyclopropyl)methanol (CID 85299219) is (2-tert-butylcyclopropyl)methanol.
What is the SMILES notation for (2-tert-butylcyclopropyl)methanol?
The canonical SMILES for (2-tert-butylcyclopropyl)methanol is CC(C)(C)C1CC1CO.
What is the InChIKey of (2-tert-butylcyclopropyl)methanol?
The InChIKey is YDZZGNVEEWKQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-8(2,3)7-4-6(7)5-9/h6-7,9H,4-5H2,1-3H3.
What are the key properties of (2-tert-butylcyclopropyl)methanol?
(2-tert-butylcyclopropyl)methanol has a molecular weight of 128.21 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylcyclopropyl)methanol is sourced from PubChem (CID 85299219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).