4-(4-methylideneoxan-2-yl)butan-1-ol

C10H18O2 — CID 10487364

IUPAC4-(4-methylideneoxan-2-yl)butan-1-ol
SMILESC=C1CCOC(CCCCO)C1
InChIInChI=1S/C10H18O2/c1-9-5-7-12-10(8-9)4-2-3-6-11/h10-11H,1-8H2
InChIKeyMPKXPDRBXDJZIM-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.88
Rot. Bonds4

About 4-(4-methylideneoxan-2-yl)butan-1-ol

4-(4-methylideneoxan-2-yl)butan-1-ol (PubChem CID 10487364) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-(4-methylideneoxan-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-(4-methylideneoxan-2-yl)butan-1-ol
PubChem CID10487364
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-(4-methylideneoxan-2-yl)butan-1-ol
SMILESC=C1CCOC(CCCCO)C1
InChIInChI=1S/C10H18O2/c1-9-5-7-12-10(8-9)4-2-3-6-11/h10-11H,1-8H2
InChIKeyMPKXPDRBXDJZIM-UHFFFAOYSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylideneoxan-2-yl)butan-1-ol?
The IUPAC name of 4-(4-methylideneoxan-2-yl)butan-1-ol (CID 10487364) is 4-(4-methylideneoxan-2-yl)butan-1-ol.
What is the SMILES notation for 4-(4-methylideneoxan-2-yl)butan-1-ol?
The canonical SMILES for 4-(4-methylideneoxan-2-yl)butan-1-ol is C=C1CCOC(CCCCO)C1.
What is the InChIKey of 4-(4-methylideneoxan-2-yl)butan-1-ol?
The InChIKey is MPKXPDRBXDJZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9-5-7-12-10(8-9)4-2-3-6-11/h10-11H,1-8H2.
What are the key properties of 4-(4-methylideneoxan-2-yl)butan-1-ol?
4-(4-methylideneoxan-2-yl)butan-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylideneoxan-2-yl)butan-1-ol is sourced from PubChem (CID 10487364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).