4-methylidene-1-(oxiran-2-yl)oct-7-en-2-ol

C11H18O2 — CID 5324171

IUPAC4-methylidene-1-(oxiran-2-yl)oct-7-en-2-ol
SMILESC=CCCC(=C)CC(O)CC1CO1
InChIInChI=1S/C11H18O2/c1-3-4-5-9(2)6-10(12)7-11-8-13-11/h3,10-12H,1-2,4-8H2
InChIKeyRTPCIYFETZXUDC-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.05
Rot. Bonds7

About 4-methylidene-1-(oxiran-2-yl)oct-7-en-2-ol

4-methylidene-1-(oxiran-2-yl)oct-7-en-2-ol (PubChem CID 5324171) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 4-methylidene-1-(oxiran-2-yl)oct-7-en-2-ol.

Molecular Properties

Compound Name4-methylidene-1-(oxiran-2-yl)oct-7-en-2-ol
PubChem CID5324171
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name4-methylidene-1-(oxiran-2-yl)oct-7-en-2-ol
SMILESC=CCCC(=C)CC(O)CC1CO1
InChIInChI=1S/C11H18O2/c1-3-4-5-9(2)6-10(12)7-11-8-13-11/h3,10-12H,1-2,4-8H2
InChIKeyRTPCIYFETZXUDC-UHFFFAOYSA-N
XLogP2.05
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-(oxiran-2-yl)oct-7-en-2-ol?
The IUPAC name of 4-methylidene-1-(oxiran-2-yl)oct-7-en-2-ol (CID 5324171) is 4-methylidene-1-(oxiran-2-yl)oct-7-en-2-ol.
What is the SMILES notation for 4-methylidene-1-(oxiran-2-yl)oct-7-en-2-ol?
The canonical SMILES for 4-methylidene-1-(oxiran-2-yl)oct-7-en-2-ol is C=CCCC(=C)CC(O)CC1CO1.
What is the InChIKey of 4-methylidene-1-(oxiran-2-yl)oct-7-en-2-ol?
The InChIKey is RTPCIYFETZXUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-5-9(2)6-10(12)7-11-8-13-11/h3,10-12H,1-2,4-8H2.
What are the key properties of 4-methylidene-1-(oxiran-2-yl)oct-7-en-2-ol?
4-methylidene-1-(oxiran-2-yl)oct-7-en-2-ol has a molecular weight of 182.26 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-(oxiran-2-yl)oct-7-en-2-ol is sourced from PubChem (CID 5324171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).