1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol

C12H24O — CID 107892837

IUPAC1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol
SMILESCCCC(C)C1(O)CC(C(C)C)C1
InChIInChI=1S/C12H24O/c1-5-6-10(4)12(13)7-11(8-12)9(2)3/h9-11,13H,5-8H2,1-4H3
InChIKeyNLUXRSPWYWRSBZ-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.22
Rot. Bonds4

About 1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol

1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol (PubChem CID 107892837) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol.

Molecular Properties

Compound Name1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol
PubChem CID107892837
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol
SMILESCCCC(C)C1(O)CC(C(C)C)C1
InChIInChI=1S/C12H24O/c1-5-6-10(4)12(13)7-11(8-12)9(2)3/h9-11,13H,5-8H2,1-4H3
InChIKeyNLUXRSPWYWRSBZ-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydrolinalool
CID 6548
2,4-Dimethyl-4-nonanol
CID 3018500
3,6-Dimethyl-3-octanol
CID 9027
3-Methyl-3-octanol
CID 21432
2,3-Dimethyl-2-hexanol
CID 137270
3,6-Dimethyl-3-heptanol
CID 15297
4-Methyloctan-4-ol
CID 141031
3,5-Dimethyl-3-heptanol
CID 140546
5-Methyl-5-nonanol
CID 141860
2,4,6-Trimethylheptan-4-ol
CID 143748
4-Methylnonan-4-ol
CID 90924
5-Butyl-5-nonanol
CID 136392

Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol?
The IUPAC name of 1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol (CID 107892837) is 1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol.
What is the SMILES notation for 1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol?
The canonical SMILES for 1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol is CCCC(C)C1(O)CC(C(C)C)C1.
What is the InChIKey of 1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol?
The InChIKey is NLUXRSPWYWRSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-5-6-10(4)12(13)7-11(8-12)9(2)3/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol?
1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol is sourced from PubChem (CID 107892837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).