1-[2,2-dimethyl-3-(2-methylpropyl)cyclopropyl]cyclopropan-1-ol

C12H22O — CID 130446966

IUPAC1-[2,2-dimethyl-3-(2-methylpropyl)cyclopropyl]cyclopropan-1-ol
SMILESCC(C)CC1C(C2(O)CC2)C1(C)C
InChIInChI=1S/C12H22O/c1-8(2)7-9-10(11(9,3)4)12(13)5-6-12/h8-10,13H,5-7H2,1-4H3
InChIKeyJRLUMAXNKRYLFD-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.83
Rot. Bonds3

About 1-[2,2-dimethyl-3-(2-methylpropyl)cyclopropyl]cyclopropan-1-ol

1-[2,2-dimethyl-3-(2-methylpropyl)cyclopropyl]cyclopropan-1-ol (PubChem CID 130446966) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-[2,2-dimethyl-3-(2-methylpropyl)cyclopropyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2,2-dimethyl-3-(2-methylpropyl)cyclopropyl]cyclopropan-1-ol
PubChem CID130446966
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-[2,2-dimethyl-3-(2-methylpropyl)cyclopropyl]cyclopropan-1-ol
SMILESCC(C)CC1C(C2(O)CC2)C1(C)C
InChIInChI=1S/C12H22O/c1-8(2)7-9-10(11(9,3)4)12(13)5-6-12/h8-10,13H,5-7H2,1-4H3
InChIKeyJRLUMAXNKRYLFD-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-3-(2-methylpropyl)cyclopropyl]cyclopropan-1-ol?
The IUPAC name of 1-[2,2-dimethyl-3-(2-methylpropyl)cyclopropyl]cyclopropan-1-ol (CID 130446966) is 1-[2,2-dimethyl-3-(2-methylpropyl)cyclopropyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2,2-dimethyl-3-(2-methylpropyl)cyclopropyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2,2-dimethyl-3-(2-methylpropyl)cyclopropyl]cyclopropan-1-ol is CC(C)CC1C(C2(O)CC2)C1(C)C.
What is the InChIKey of 1-[2,2-dimethyl-3-(2-methylpropyl)cyclopropyl]cyclopropan-1-ol?
The InChIKey is JRLUMAXNKRYLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-8(2)7-9-10(11(9,3)4)12(13)5-6-12/h8-10,13H,5-7H2,1-4H3.
What are the key properties of 1-[2,2-dimethyl-3-(2-methylpropyl)cyclopropyl]cyclopropan-1-ol?
1-[2,2-dimethyl-3-(2-methylpropyl)cyclopropyl]cyclopropan-1-ol has a molecular weight of 182.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-3-(2-methylpropyl)cyclopropyl]cyclopropan-1-ol is sourced from PubChem (CID 130446966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).