1-[1-(4-hydroxybutyl)cyclopropyl]cyclopropan-1-ol

C10H18O2 — CID 54217012

IUPAC1-[1-(4-hydroxybutyl)cyclopropyl]cyclopropan-1-ol
SMILESOCCCCC1(C2(O)CC2)CC1
InChIInChI=1S/C10H18O2/c11-8-2-1-3-9(4-5-9)10(12)6-7-10/h11-12H,1-8H2
InChIKeyPZXAJYYZGXNWKV-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.45
Rot. Bonds5

About 1-[1-(4-hydroxybutyl)cyclopropyl]cyclopropan-1-ol

1-[1-(4-hydroxybutyl)cyclopropyl]cyclopropan-1-ol (PubChem CID 54217012) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-[1-(4-hydroxybutyl)cyclopropyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[1-(4-hydroxybutyl)cyclopropyl]cyclopropan-1-ol
PubChem CID54217012
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-[1-(4-hydroxybutyl)cyclopropyl]cyclopropan-1-ol
SMILESOCCCCC1(C2(O)CC2)CC1
InChIInChI=1S/C10H18O2/c11-8-2-1-3-9(4-5-9)10(12)6-7-10/h11-12H,1-8H2
InChIKeyPZXAJYYZGXNWKV-UHFFFAOYSA-N
XLogP1.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-hydroxybutyl)cyclopropyl]cyclopropan-1-ol?
The IUPAC name of 1-[1-(4-hydroxybutyl)cyclopropyl]cyclopropan-1-ol (CID 54217012) is 1-[1-(4-hydroxybutyl)cyclopropyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[1-(4-hydroxybutyl)cyclopropyl]cyclopropan-1-ol?
The canonical SMILES for 1-[1-(4-hydroxybutyl)cyclopropyl]cyclopropan-1-ol is OCCCCC1(C2(O)CC2)CC1.
What is the InChIKey of 1-[1-(4-hydroxybutyl)cyclopropyl]cyclopropan-1-ol?
The InChIKey is PZXAJYYZGXNWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c11-8-2-1-3-9(4-5-9)10(12)6-7-10/h11-12H,1-8H2.
What are the key properties of 1-[1-(4-hydroxybutyl)cyclopropyl]cyclopropan-1-ol?
1-[1-(4-hydroxybutyl)cyclopropyl]cyclopropan-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-hydroxybutyl)cyclopropyl]cyclopropan-1-ol is sourced from PubChem (CID 54217012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).