1-[3-(1-hydroxycyclopropyl)propyl]cyclopropan-1-ol

C9H16O2 — CID 916078

IUPAC1-[3-(1-hydroxycyclopropyl)propyl]cyclopropan-1-ol
SMILESOC1(CCCC2(O)CC2)CC1
InChIInChI=1S/C9H16O2/c10-8(4-5-8)2-1-3-9(11)6-7-9/h10-11H,1-7H2
InChIKeyPGOVYTHYBWUTKN-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.21
Rot. Bonds4

About 1-[3-(1-hydroxycyclopropyl)propyl]cyclopropan-1-ol

1-[3-(1-hydroxycyclopropyl)propyl]cyclopropan-1-ol (PubChem CID 916078) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-[3-(1-hydroxycyclopropyl)propyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[3-(1-hydroxycyclopropyl)propyl]cyclopropan-1-ol
PubChem CID916078
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-[3-(1-hydroxycyclopropyl)propyl]cyclopropan-1-ol
SMILESOC1(CCCC2(O)CC2)CC1
InChIInChI=1S/C9H16O2/c10-8(4-5-8)2-1-3-9(11)6-7-9/h10-11H,1-7H2
InChIKeyPGOVYTHYBWUTKN-UHFFFAOYSA-N
XLogP1.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxycyclopropyl)propyl]cyclopropan-1-ol?
The IUPAC name of 1-[3-(1-hydroxycyclopropyl)propyl]cyclopropan-1-ol (CID 916078) is 1-[3-(1-hydroxycyclopropyl)propyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[3-(1-hydroxycyclopropyl)propyl]cyclopropan-1-ol?
The canonical SMILES for 1-[3-(1-hydroxycyclopropyl)propyl]cyclopropan-1-ol is OC1(CCCC2(O)CC2)CC1.
What is the InChIKey of 1-[3-(1-hydroxycyclopropyl)propyl]cyclopropan-1-ol?
The InChIKey is PGOVYTHYBWUTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c10-8(4-5-8)2-1-3-9(11)6-7-9/h10-11H,1-7H2.
What are the key properties of 1-[3-(1-hydroxycyclopropyl)propyl]cyclopropan-1-ol?
1-[3-(1-hydroxycyclopropyl)propyl]cyclopropan-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxycyclopropyl)propyl]cyclopropan-1-ol is sourced from PubChem (CID 916078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).