(6R,10R)-2,6,10,14-tetramethyl-7-methylidenepentadeca-2,13-dien-8-one

C20H34O — CID 11312339

IUPAC(6R,10R)-2,6,10,14-tetramethyl-7-methylidenepentadeca-2,13-dien-8-one
SMILESC=C(C(=O)C[C@H](C)CCC=C(C)C)[C@H](C)CCC=C(C)C
InChIInChI=1S/C20H34O/c1-15(2)10-8-12-17(5)14-20(21)19(7)18(6)13-9-11-16(3)4/h10-11,17-18H,7-9,12-14H2,1-6H3/t17-,18-/m1/s1
InChIKeyWWFOGCOHPOACCX-QZTJIDSGSA-N
MW290.49 g/mol
LogP6.27
Rot. Bonds10

About (6R,10R)-2,6,10,14-tetramethyl-7-methylidenepentadeca-2,13-dien-8-one

(6R,10R)-2,6,10,14-tetramethyl-7-methylidenepentadeca-2,13-dien-8-one (PubChem CID 11312339) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is (6R,10R)-2,6,10,14-tetramethyl-7-methylidenepentadeca-2,13-dien-8-one.

Molecular Properties

Compound Name(6R,10R)-2,6,10,14-tetramethyl-7-methylidenepentadeca-2,13-dien-8-one
PubChem CID11312339
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name(6R,10R)-2,6,10,14-tetramethyl-7-methylidenepentadeca-2,13-dien-8-one
SMILESC=C(C(=O)C[C@H](C)CCC=C(C)C)[C@H](C)CCC=C(C)C
InChIInChI=1S/C20H34O/c1-15(2)10-8-12-17(5)14-20(21)19(7)18(6)13-9-11-16(3)4/h10-11,17-18H,7-9,12-14H2,1-6H3/t17-,18-/m1/s1
InChIKeyWWFOGCOHPOACCX-QZTJIDSGSA-N
XLogP6.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5,9-trimethyldeca-1,8-dien-3-one
CID 71382341
5,9-dimethyldeca-1,8-dien-3-one
CID 85299318
6,10-dimethylundec-9-ene-2,3-dione
CID 91218155
3,7-dimethyloct-6-enyl 3,7-dimethyloct-6-enoate
CID 3086155
N-ethyl-3,7-dimethyloct-6-enamide
CID 91172474
8,12-dimethyltridec-11-ene-3,6-dione
CID 138968115
(2R)-2,6-dimethylhept-5-en-1-amine
CID 163211564
1-hydroxy-3,7-dimethyloct-6-en-2-one
CID 15409470
(3S,7R,9S)-2,9,13-trimethyl-5-methylidenetetradec-12-ene-3,7-diol
CID 138976111
[(5R)-2,5,9-trimethyl-3-oxodec-8-en-2-yl]phosphonic acid
CID 18605959
5,9-dimethyldeca-1,8-diene
CID 12578605
5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid
CID 175919951

Frequently Asked Questions

What is the IUPAC name of (6R,10R)-2,6,10,14-tetramethyl-7-methylidenepentadeca-2,13-dien-8-one?
The IUPAC name of (6R,10R)-2,6,10,14-tetramethyl-7-methylidenepentadeca-2,13-dien-8-one (CID 11312339) is (6R,10R)-2,6,10,14-tetramethyl-7-methylidenepentadeca-2,13-dien-8-one.
What is the SMILES notation for (6R,10R)-2,6,10,14-tetramethyl-7-methylidenepentadeca-2,13-dien-8-one?
The canonical SMILES for (6R,10R)-2,6,10,14-tetramethyl-7-methylidenepentadeca-2,13-dien-8-one is C=C(C(=O)C[C@H](C)CCC=C(C)C)[C@H](C)CCC=C(C)C.
What is the InChIKey of (6R,10R)-2,6,10,14-tetramethyl-7-methylidenepentadeca-2,13-dien-8-one?
The InChIKey is WWFOGCOHPOACCX-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H34O/c1-15(2)10-8-12-17(5)14-20(21)19(7)18(6)13-9-11-16(3)4/h10-11,17-18H,7-9,12-14H2,1-6H3/t17-,18-/m1/s1.
What are the key properties of (6R,10R)-2,6,10,14-tetramethyl-7-methylidenepentadeca-2,13-dien-8-one?
(6R,10R)-2,6,10,14-tetramethyl-7-methylidenepentadeca-2,13-dien-8-one has a molecular weight of 290.49 g/mol, XLogP of 6.27, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,10R)-2,6,10,14-tetramethyl-7-methylidenepentadeca-2,13-dien-8-one is sourced from PubChem (CID 11312339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).