3-(3-methylidenepentyl)oxan-3-ol

C11H20O2 — CID 13237155

IUPAC3-(3-methylidenepentyl)oxan-3-ol
SMILESC=C(CC)CCC1(O)CCCOC1
InChIInChI=1S/C11H20O2/c1-3-10(2)5-7-11(12)6-4-8-13-9-11/h12H,2-9H2,1H3
InChIKeyORPSJBFFCTVORT-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.27
Rot. Bonds4

About 3-(3-methylidenepentyl)oxan-3-ol

3-(3-methylidenepentyl)oxan-3-ol (PubChem CID 13237155) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(3-methylidenepentyl)oxan-3-ol.

Molecular Properties

Compound Name3-(3-methylidenepentyl)oxan-3-ol
PubChem CID13237155
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-(3-methylidenepentyl)oxan-3-ol
SMILESC=C(CC)CCC1(O)CCCOC1
InChIInChI=1S/C11H20O2/c1-3-10(2)5-7-11(12)6-4-8-13-9-11/h12H,2-9H2,1H3
InChIKeyORPSJBFFCTVORT-UHFFFAOYSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylidenepentyl)oxan-3-ol?
The IUPAC name of 3-(3-methylidenepentyl)oxan-3-ol (CID 13237155) is 3-(3-methylidenepentyl)oxan-3-ol.
What is the SMILES notation for 3-(3-methylidenepentyl)oxan-3-ol?
The canonical SMILES for 3-(3-methylidenepentyl)oxan-3-ol is C=C(CC)CCC1(O)CCCOC1.
What is the InChIKey of 3-(3-methylidenepentyl)oxan-3-ol?
The InChIKey is ORPSJBFFCTVORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-10(2)5-7-11(12)6-4-8-13-9-11/h12H,2-9H2,1H3.
What are the key properties of 3-(3-methylidenepentyl)oxan-3-ol?
3-(3-methylidenepentyl)oxan-3-ol has a molecular weight of 184.28 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylidenepentyl)oxan-3-ol is sourced from PubChem (CID 13237155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).