1-[2,3-bis(1-hydroxycyclopropyl)cyclopropyl]cyclopropan-1-ol

C12H18O3 — CID 12012575

IUPAC1-[2,3-bis(1-hydroxycyclopropyl)cyclopropyl]cyclopropan-1-ol
SMILESOC1(C2C(C3(O)CC3)C2C2(O)CC2)CC1
InChIInChI=1S/C12H18O3/c13-10(1-2-10)7-8(11(14)3-4-11)9(7)12(15)5-6-12/h7-9,13-15H,1-6H2
InChIKeyZXHAJMPHPJUICC-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.42
Rot. Bonds3

About 1-[2,3-bis(1-hydroxycyclopropyl)cyclopropyl]cyclopropan-1-ol

1-[2,3-bis(1-hydroxycyclopropyl)cyclopropyl]cyclopropan-1-ol (PubChem CID 12012575) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-[2,3-bis(1-hydroxycyclopropyl)cyclopropyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2,3-bis(1-hydroxycyclopropyl)cyclopropyl]cyclopropan-1-ol
PubChem CID12012575
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-[2,3-bis(1-hydroxycyclopropyl)cyclopropyl]cyclopropan-1-ol
SMILESOC1(C2C(C3(O)CC3)C2C2(O)CC2)CC1
InChIInChI=1S/C12H18O3/c13-10(1-2-10)7-8(11(14)3-4-11)9(7)12(15)5-6-12/h7-9,13-15H,1-6H2
InChIKeyZXHAJMPHPJUICC-UHFFFAOYSA-N
XLogP0.42
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(1-hydroxycyclopropyl)cyclopropyl]cyclopropan-1-ol?
The IUPAC name of 1-[2,3-bis(1-hydroxycyclopropyl)cyclopropyl]cyclopropan-1-ol (CID 12012575) is 1-[2,3-bis(1-hydroxycyclopropyl)cyclopropyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2,3-bis(1-hydroxycyclopropyl)cyclopropyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2,3-bis(1-hydroxycyclopropyl)cyclopropyl]cyclopropan-1-ol is OC1(C2C(C3(O)CC3)C2C2(O)CC2)CC1.
What is the InChIKey of 1-[2,3-bis(1-hydroxycyclopropyl)cyclopropyl]cyclopropan-1-ol?
The InChIKey is ZXHAJMPHPJUICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c13-10(1-2-10)7-8(11(14)3-4-11)9(7)12(15)5-6-12/h7-9,13-15H,1-6H2.
What are the key properties of 1-[2,3-bis(1-hydroxycyclopropyl)cyclopropyl]cyclopropan-1-ol?
1-[2,3-bis(1-hydroxycyclopropyl)cyclopropyl]cyclopropan-1-ol has a molecular weight of 210.27 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(1-hydroxycyclopropyl)cyclopropyl]cyclopropan-1-ol is sourced from PubChem (CID 12012575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).