3-methylidenepent-4-en-2-ol

C6H10O — CID 11075477

IUPAC3-methylidenepent-4-en-2-ol
SMILESC=CC(=C)C(C)O
InChIInChI=1S/C6H10O/c1-4-5(2)6(3)7/h4,6-7H,1-2H2,3H3
InChIKeyDIUFSYBLNCRTCR-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.11
Rot. Bonds2

About 3-methylidenepent-4-en-2-ol

3-methylidenepent-4-en-2-ol (PubChem CID 11075477) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 3-methylidenepent-4-en-2-ol.

Molecular Properties

Compound Name3-methylidenepent-4-en-2-ol
PubChem CID11075477
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name3-methylidenepent-4-en-2-ol
SMILESC=CC(=C)C(C)O
InChIInChI=1S/C6H10O/c1-4-5(2)6(3)7/h4,6-7H,1-2H2,3H3
InChIKeyDIUFSYBLNCRTCR-UHFFFAOYSA-N
XLogP1.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidenepent-4-en-2-ol?
The IUPAC name of 3-methylidenepent-4-en-2-ol (CID 11075477) is 3-methylidenepent-4-en-2-ol.
What is the SMILES notation for 3-methylidenepent-4-en-2-ol?
The canonical SMILES for 3-methylidenepent-4-en-2-ol is C=CC(=C)C(C)O.
What is the InChIKey of 3-methylidenepent-4-en-2-ol?
The InChIKey is DIUFSYBLNCRTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-4-5(2)6(3)7/h4,6-7H,1-2H2,3H3.
What are the key properties of 3-methylidenepent-4-en-2-ol?
3-methylidenepent-4-en-2-ol has a molecular weight of 98.14 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenepent-4-en-2-ol is sourced from PubChem (CID 11075477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).