4-propan-2-yloxybutan-1-ol

C7H16O2 — CID 537092

IUPAC4-propan-2-yloxybutan-1-ol
SMILESCC(C)OCCCCO
InChIInChI=1S/C7H16O2/c1-7(2)9-6-4-3-5-8/h7-8H,3-6H2,1-2H3
InChIKeyOYVUCQVIHYMROV-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.18
Rot. Bonds5

About 4-propan-2-yloxybutan-1-ol

4-propan-2-yloxybutan-1-ol (PubChem CID 537092) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 4-propan-2-yloxybutan-1-ol.

Molecular Properties

Compound Name4-propan-2-yloxybutan-1-ol
PubChem CID537092
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name4-propan-2-yloxybutan-1-ol
SMILESCC(C)OCCCCO
InChIInChI=1S/C7H16O2/c1-7(2)9-6-4-3-5-8/h7-8H,3-6H2,1-2H3
InChIKeyOYVUCQVIHYMROV-UHFFFAOYSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxy-1-butanol
CID 17291
2-Butoxy-1-propanol
CID 177691
3-Butoxy-1-propanol
CID 82457
4-Butoxybutan-1-ol
CID 20111
4-Ethoxybutanol
CID 8131
3,3'-Dihydroxydibutyl ether
CID 92141
3-Isopropoxy-1-propanol
CID 99378
1-Butanol, 3,3'-oxybis-
CID 171333
1-Butanol, 3-(3-hydroxybutoxy)-
CID 171694
1-Ethoxy-3-pentanol
CID 294551
3-Ethoxy-butan-1-OL
CID 5148119
4-Methoxybutan-2-ol
CID 12651695

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxybutan-1-ol?
The IUPAC name of 4-propan-2-yloxybutan-1-ol (CID 537092) is 4-propan-2-yloxybutan-1-ol.
What is the SMILES notation for 4-propan-2-yloxybutan-1-ol?
The canonical SMILES for 4-propan-2-yloxybutan-1-ol is CC(C)OCCCCO.
What is the InChIKey of 4-propan-2-yloxybutan-1-ol?
The InChIKey is OYVUCQVIHYMROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-7(2)9-6-4-3-5-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-yloxybutan-1-ol?
4-propan-2-yloxybutan-1-ol has a molecular weight of 132.20 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxybutan-1-ol is sourced from PubChem (CID 537092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).