(2E)-3-methylidene-2-(4-methylpent-1-en-3-ylidene)oxolane

C11H16O — CID 165402235

IUPAC(2E)-3-methylidene-2-(4-methylpent-1-en-3-ylidene)oxolane
SMILESC=C/C(=C1/OCCC1=C)C(C)C
InChIInChI=1S/C11H16O/c1-5-10(8(2)3)11-9(4)6-7-12-11/h5,8H,1,4,6-7H2,2-3H3/b11-10-
InChIKeyRUIBZIQGOGHICN-KHPPLWFESA-N
MW164.25 g/mol
LogP3.06
Rot. Bonds2

About (2E)-3-methylidene-2-(4-methylpent-1-en-3-ylidene)oxolane

(2E)-3-methylidene-2-(4-methylpent-1-en-3-ylidene)oxolane (PubChem CID 165402235) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (2E)-3-methylidene-2-(4-methylpent-1-en-3-ylidene)oxolane.

Molecular Properties

Compound Name(2E)-3-methylidene-2-(4-methylpent-1-en-3-ylidene)oxolane
PubChem CID165402235
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(2E)-3-methylidene-2-(4-methylpent-1-en-3-ylidene)oxolane
SMILESC=C/C(=C1/OCCC1=C)C(C)C
InChIInChI=1S/C11H16O/c1-5-10(8(2)3)11-9(4)6-7-12-11/h5,8H,1,4,6-7H2,2-3H3/b11-10-
InChIKeyRUIBZIQGOGHICN-KHPPLWFESA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-3-methylidene-2-(4-methylpent-1-en-3-ylidene)oxolane?
The IUPAC name of (2E)-3-methylidene-2-(4-methylpent-1-en-3-ylidene)oxolane (CID 165402235) is (2E)-3-methylidene-2-(4-methylpent-1-en-3-ylidene)oxolane.
What is the SMILES notation for (2E)-3-methylidene-2-(4-methylpent-1-en-3-ylidene)oxolane?
The canonical SMILES for (2E)-3-methylidene-2-(4-methylpent-1-en-3-ylidene)oxolane is C=C/C(=C1/OCCC1=C)C(C)C.
What is the InChIKey of (2E)-3-methylidene-2-(4-methylpent-1-en-3-ylidene)oxolane?
The InChIKey is RUIBZIQGOGHICN-KHPPLWFESA-N. The full InChI is InChI=1S/C11H16O/c1-5-10(8(2)3)11-9(4)6-7-12-11/h5,8H,1,4,6-7H2,2-3H3/b11-10-.
What are the key properties of (2E)-3-methylidene-2-(4-methylpent-1-en-3-ylidene)oxolane?
(2E)-3-methylidene-2-(4-methylpent-1-en-3-ylidene)oxolane has a molecular weight of 164.25 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-methylidene-2-(4-methylpent-1-en-3-ylidene)oxolane is sourced from PubChem (CID 165402235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).