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

C13H26O — CID 118458375

IUPAC[1-ethyl-3,3-di(propan-2-yl)cyclobutyl]methanol
SMILESCCC1(CO)CC(C(C)C)(C(C)C)C1
InChIInChI=1S/C13H26O/c1-6-12(9-14)7-13(8-12,10(2)3)11(4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyLHYFERTXZVAMDH-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.47
Rot. Bonds4

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

[1-ethyl-3,3-di(propan-2-yl)cyclobutyl]methanol (PubChem CID 118458375) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is [1-ethyl-3,3-di(propan-2-yl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-ethyl-3,3-di(propan-2-yl)cyclobutyl]methanol
PubChem CID118458375
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name[1-ethyl-3,3-di(propan-2-yl)cyclobutyl]methanol
SMILESCCC1(CO)CC(C(C)C)(C(C)C)C1
InChIInChI=1S/C13H26O/c1-6-12(9-14)7-13(8-12,10(2)3)11(4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyLHYFERTXZVAMDH-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3,3-di(propan-2-yl)cyclobutyl]methanol?
The IUPAC name of [1-ethyl-3,3-di(propan-2-yl)cyclobutyl]methanol (CID 118458375) is [1-ethyl-3,3-di(propan-2-yl)cyclobutyl]methanol.
What is the SMILES notation for [1-ethyl-3,3-di(propan-2-yl)cyclobutyl]methanol?
The canonical SMILES for [1-ethyl-3,3-di(propan-2-yl)cyclobutyl]methanol is CCC1(CO)CC(C(C)C)(C(C)C)C1.
What is the InChIKey of [1-ethyl-3,3-di(propan-2-yl)cyclobutyl]methanol?
The InChIKey is LHYFERTXZVAMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-6-12(9-14)7-13(8-12,10(2)3)11(4)5/h10-11,14H,6-9H2,1-5H3.
What are the key properties of [1-ethyl-3,3-di(propan-2-yl)cyclobutyl]methanol?
[1-ethyl-3,3-di(propan-2-yl)cyclobutyl]methanol has a molecular weight of 198.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3,3-di(propan-2-yl)cyclobutyl]methanol is sourced from PubChem (CID 118458375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).