1-[1-(hydroxymethyl)cyclopropyl]-3-methylbutan-1-ol

C9H18O2 — CID 102551269

IUPAC1-[1-(hydroxymethyl)cyclopropyl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)C1(CO)CC1
InChIInChI=1S/C9H18O2/c1-7(2)5-8(11)9(6-10)3-4-9/h7-8,10-11H,3-6H2,1-2H3
InChIKeyFXBMMRUDCPIVCB-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.17
Rot. Bonds4

About 1-[1-(hydroxymethyl)cyclopropyl]-3-methylbutan-1-ol

1-[1-(hydroxymethyl)cyclopropyl]-3-methylbutan-1-ol (PubChem CID 102551269) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-[1-(hydroxymethyl)cyclopropyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-[1-(hydroxymethyl)cyclopropyl]-3-methylbutan-1-ol
PubChem CID102551269
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name1-[1-(hydroxymethyl)cyclopropyl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)C1(CO)CC1
InChIInChI=1S/C9H18O2/c1-7(2)5-8(11)9(6-10)3-4-9/h7-8,10-11H,3-6H2,1-2H3
InChIKeyFXBMMRUDCPIVCB-UHFFFAOYSA-N
XLogP1.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(hydroxymethyl)cyclopropyl]-3-methylbutan-1-ol?
The IUPAC name of 1-[1-(hydroxymethyl)cyclopropyl]-3-methylbutan-1-ol (CID 102551269) is 1-[1-(hydroxymethyl)cyclopropyl]-3-methylbutan-1-ol.
What is the SMILES notation for 1-[1-(hydroxymethyl)cyclopropyl]-3-methylbutan-1-ol?
The canonical SMILES for 1-[1-(hydroxymethyl)cyclopropyl]-3-methylbutan-1-ol is CC(C)CC(O)C1(CO)CC1.
What is the InChIKey of 1-[1-(hydroxymethyl)cyclopropyl]-3-methylbutan-1-ol?
The InChIKey is FXBMMRUDCPIVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-7(2)5-8(11)9(6-10)3-4-9/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of 1-[1-(hydroxymethyl)cyclopropyl]-3-methylbutan-1-ol?
1-[1-(hydroxymethyl)cyclopropyl]-3-methylbutan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(hydroxymethyl)cyclopropyl]-3-methylbutan-1-ol is sourced from PubChem (CID 102551269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).