5-(1-cyclopropylcyclopropyl)-2-methylpentan-2-ol

C12H22O — CID 118043560

IUPAC5-(1-cyclopropylcyclopropyl)-2-methylpentan-2-ol
SMILESCC(C)(O)CCCC1(C2CC2)CC1
InChIInChI=1S/C12H22O/c1-11(2,13)6-3-7-12(8-9-12)10-4-5-10/h10,13H,3-9H2,1-2H3
InChIKeyBNBAWEVNPLSKBQ-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.12
Rot. Bonds5

About 5-(1-cyclopropylcyclopropyl)-2-methylpentan-2-ol

5-(1-cyclopropylcyclopropyl)-2-methylpentan-2-ol (PubChem CID 118043560) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 5-(1-cyclopropylcyclopropyl)-2-methylpentan-2-ol.

Molecular Properties

Compound Name5-(1-cyclopropylcyclopropyl)-2-methylpentan-2-ol
PubChem CID118043560
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name5-(1-cyclopropylcyclopropyl)-2-methylpentan-2-ol
SMILESCC(C)(O)CCCC1(C2CC2)CC1
InChIInChI=1S/C12H22O/c1-11(2,13)6-3-7-12(8-9-12)10-4-5-10/h10,13H,3-9H2,1-2H3
InChIKeyBNBAWEVNPLSKBQ-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylcyclopropyl)-2-methylpentan-2-ol?
The IUPAC name of 5-(1-cyclopropylcyclopropyl)-2-methylpentan-2-ol (CID 118043560) is 5-(1-cyclopropylcyclopropyl)-2-methylpentan-2-ol.
What is the SMILES notation for 5-(1-cyclopropylcyclopropyl)-2-methylpentan-2-ol?
The canonical SMILES for 5-(1-cyclopropylcyclopropyl)-2-methylpentan-2-ol is CC(C)(O)CCCC1(C2CC2)CC1.
What is the InChIKey of 5-(1-cyclopropylcyclopropyl)-2-methylpentan-2-ol?
The InChIKey is BNBAWEVNPLSKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-11(2,13)6-3-7-12(8-9-12)10-4-5-10/h10,13H,3-9H2,1-2H3.
What are the key properties of 5-(1-cyclopropylcyclopropyl)-2-methylpentan-2-ol?
5-(1-cyclopropylcyclopropyl)-2-methylpentan-2-ol has a molecular weight of 182.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylcyclopropyl)-2-methylpentan-2-ol is sourced from PubChem (CID 118043560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).