(Z)-9,9-dimethyl-8-methylidenedec-6-en-5-one

C13H22O — CID 91607880

IUPAC(Z)-9,9-dimethyl-8-methylidenedec-6-en-5-one
SMILESC=C(/C=C\C(=O)CCCC)C(C)(C)C
InChIInChI=1S/C13H22O/c1-6-7-8-12(14)10-9-11(2)13(3,4)5/h9-10H,2,6-8H2,1,3-5H3/b10-9-
InChIKeyNFTDDHWTPSZMBM-KTKRTIGZSA-N
MW194.32 g/mol
LogP3.90
Rot. Bonds5

About (Z)-9,9-dimethyl-8-methylidenedec-6-en-5-one

(Z)-9,9-dimethyl-8-methylidenedec-6-en-5-one (PubChem CID 91607880) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (Z)-9,9-dimethyl-8-methylidenedec-6-en-5-one.

Molecular Properties

Compound Name(Z)-9,9-dimethyl-8-methylidenedec-6-en-5-one
PubChem CID91607880
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(Z)-9,9-dimethyl-8-methylidenedec-6-en-5-one
SMILESC=C(/C=C\C(=O)CCCC)C(C)(C)C
InChIInChI=1S/C13H22O/c1-6-7-8-12(14)10-9-11(2)13(3,4)5/h9-10H,2,6-8H2,1,3-5H3/b10-9-
InChIKeyNFTDDHWTPSZMBM-KTKRTIGZSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

non-3-ene-2,5-dione
CID 71327386
(E)-tridec-3-ene-2,5-dione
CID 12564114
(7E,9E)-henicosa-7,9-diene-6,11-dione
CID 56936226
1,1,1-trifluoronon-2-en-4-one
CID 173295293
octa-1,2-dien-4-one
CID 11194330
tridec-2-en-4-one
CID 3025768
(E)-undec-2-en-4-one
CID 11550066
undec-2-en-4-one
CID 54475106
(E)-1-bromooct-1-en-3-one
CID 11790338
(2E,4E)-N-methoxy-N-methyl-6-oxodeca-2,4-dienamide
CID 141437196
tetradeca-6,8,13-trien-5-one
CID 141346589
octadeca-2,4,6-trien-8-one
CID 154172928

Frequently Asked Questions

What is the IUPAC name of (Z)-9,9-dimethyl-8-methylidenedec-6-en-5-one?
The IUPAC name of (Z)-9,9-dimethyl-8-methylidenedec-6-en-5-one (CID 91607880) is (Z)-9,9-dimethyl-8-methylidenedec-6-en-5-one.
What is the SMILES notation for (Z)-9,9-dimethyl-8-methylidenedec-6-en-5-one?
The canonical SMILES for (Z)-9,9-dimethyl-8-methylidenedec-6-en-5-one is C=C(/C=C\C(=O)CCCC)C(C)(C)C.
What is the InChIKey of (Z)-9,9-dimethyl-8-methylidenedec-6-en-5-one?
The InChIKey is NFTDDHWTPSZMBM-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H22O/c1-6-7-8-12(14)10-9-11(2)13(3,4)5/h9-10H,2,6-8H2,1,3-5H3/b10-9-.
What are the key properties of (Z)-9,9-dimethyl-8-methylidenedec-6-en-5-one?
(Z)-9,9-dimethyl-8-methylidenedec-6-en-5-one has a molecular weight of 194.32 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9,9-dimethyl-8-methylidenedec-6-en-5-one is sourced from PubChem (CID 91607880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).