(E)-5-methylidene-6-propyldec-7-en-2-one

C14H24O — CID 102189804

IUPAC(E)-5-methylidene-6-propyldec-7-en-2-one
SMILESC=C(CCC(C)=O)C(/C=C/CC)CCC
InChIInChI=1S/C14H24O/c1-5-7-9-14(8-6-2)12(3)10-11-13(4)15/h7,9,14H,3,5-6,8,10-11H2,1-2,4H3/b9-7+
InChIKeyMUBKJTWBEJKUOJ-VQHVLOKHSA-N
MW208.34 g/mol
LogP4.29
Rot. Bonds8

About (E)-5-methylidene-6-propyldec-7-en-2-one

(E)-5-methylidene-6-propyldec-7-en-2-one (PubChem CID 102189804) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (E)-5-methylidene-6-propyldec-7-en-2-one.

Molecular Properties

Compound Name(E)-5-methylidene-6-propyldec-7-en-2-one
PubChem CID102189804
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(E)-5-methylidene-6-propyldec-7-en-2-one
SMILESC=C(CCC(C)=O)C(/C=C/CC)CCC
InChIInChI=1S/C14H24O/c1-5-7-9-14(8-6-2)12(3)10-11-13(4)15/h7,9,14H,3,5-6,8,10-11H2,1-2,4H3/b9-7+
InChIKeyMUBKJTWBEJKUOJ-VQHVLOKHSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-propylhex-3-enoic acid
CID 156873563
(E)-2-butylhex-3-enoic acid
CID 20517887
2-[(E)-but-1-enyl]hexanedioic acid
CID 18980848
2-[(Z)-but-1-enyl]oct-5-enoic acid
CID 174237174
(Z)-2-propylhept-3-enoic acid
CID 156873646
6-prop-1-en-2-ylnonan-2-one
CID 143490282
hexane-2,5-dione
CID 8035
propyl 2-ethylhex-3-enoate
CID 174937566
5-hydroxyoctan-2-one
CID 54022064
2-[(E)-but-1-enyl]butanedioate
CID 23198248
5-(ethylamino)hex-5-en-2-one
CID 170972328
(Z)-non-6-en-2-one
CID 11105450

Frequently Asked Questions

What is the IUPAC name of (E)-5-methylidene-6-propyldec-7-en-2-one?
The IUPAC name of (E)-5-methylidene-6-propyldec-7-en-2-one (CID 102189804) is (E)-5-methylidene-6-propyldec-7-en-2-one.
What is the SMILES notation for (E)-5-methylidene-6-propyldec-7-en-2-one?
The canonical SMILES for (E)-5-methylidene-6-propyldec-7-en-2-one is C=C(CCC(C)=O)C(/C=C/CC)CCC.
What is the InChIKey of (E)-5-methylidene-6-propyldec-7-en-2-one?
The InChIKey is MUBKJTWBEJKUOJ-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H24O/c1-5-7-9-14(8-6-2)12(3)10-11-13(4)15/h7,9,14H,3,5-6,8,10-11H2,1-2,4H3/b9-7+.
What are the key properties of (E)-5-methylidene-6-propyldec-7-en-2-one?
(E)-5-methylidene-6-propyldec-7-en-2-one has a molecular weight of 208.34 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methylidene-6-propyldec-7-en-2-one is sourced from PubChem (CID 102189804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).