(4-methylidene-2-pentyloxolan-3-yl)methanol

C11H20O2 — CID 10559399

IUPAC(4-methylidene-2-pentyloxolan-3-yl)methanol
SMILESC=C1COC(CCCCC)C1CO
InChIInChI=1S/C11H20O2/c1-3-4-5-6-11-10(7-12)9(2)8-13-11/h10-12H,2-8H2,1H3
InChIKeyCDWVSCGSBGODQS-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.13
Rot. Bonds5

About (4-methylidene-2-pentyloxolan-3-yl)methanol

(4-methylidene-2-pentyloxolan-3-yl)methanol (PubChem CID 10559399) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (4-methylidene-2-pentyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(4-methylidene-2-pentyloxolan-3-yl)methanol
PubChem CID10559399
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(4-methylidene-2-pentyloxolan-3-yl)methanol
SMILESC=C1COC(CCCCC)C1CO
InChIInChI=1S/C11H20O2/c1-3-4-5-6-11-10(7-12)9(2)8-13-11/h10-12H,2-8H2,1H3
InChIKeyCDWVSCGSBGODQS-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.13
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-methylidene-2-pentyloxolan-3-yl)methanol?
The IUPAC name of (4-methylidene-2-pentyloxolan-3-yl)methanol (CID 10559399) is (4-methylidene-2-pentyloxolan-3-yl)methanol.
What is the SMILES notation for (4-methylidene-2-pentyloxolan-3-yl)methanol?
The canonical SMILES for (4-methylidene-2-pentyloxolan-3-yl)methanol is C=C1COC(CCCCC)C1CO.
What is the InChIKey of (4-methylidene-2-pentyloxolan-3-yl)methanol?
The InChIKey is CDWVSCGSBGODQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-6-11-10(7-12)9(2)8-13-11/h10-12H,2-8H2,1H3.
What are the key properties of (4-methylidene-2-pentyloxolan-3-yl)methanol?
(4-methylidene-2-pentyloxolan-3-yl)methanol has a molecular weight of 184.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylidene-2-pentyloxolan-3-yl)methanol is sourced from PubChem (CID 10559399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).