(2R,6R,10R)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradecane-1,4,9-trione

C20H32O3 — CID 23428264

IUPAC(2R,6R,10R)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradecane-1,4,9-trione
SMILESC=C(C)C1CC[C@@H](C)C(=O)CC[C@@H](C)CC(=O)C[C@@H](C)C(=O)C1
InChIInChI=1S/C20H32O3/c1-13(2)17-8-7-15(4)19(22)9-6-14(3)10-18(21)11-16(5)20(23)12-17/h14-17H,1,6-12H2,2-5H3/t14-,15-,16-,17?/m1/s1
InChIKeyKJJHMXXVXCQXRS-HJNZIYBASA-N
MW320.47 g/mol
LogP4.54
Rot. Bonds1

About (2R,6R,10R)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradecane-1,4,9-trione

(2R,6R,10R)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradecane-1,4,9-trione (PubChem CID 23428264) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is (2R,6R,10R)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradecane-1,4,9-trione.

Molecular Properties

Compound Name(2R,6R,10R)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradecane-1,4,9-trione
PubChem CID23428264
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name(2R,6R,10R)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradecane-1,4,9-trione
SMILESC=C(C)C1CC[C@@H](C)C(=O)CC[C@@H](C)CC(=O)C[C@@H](C)C(=O)C1
InChIInChI=1S/C20H32O3/c1-13(2)17-8-7-15(4)19(22)9-6-14(3)10-18(21)11-16(5)20(23)12-17/h14-17H,1,6-12H2,2-5H3/t14-,15-,16-,17?/m1/s1
InChIKeyKJJHMXXVXCQXRS-HJNZIYBASA-N
XLogP4.54
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,6R,10R)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradecane-1,4,9-trione with MolForge

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Launch Full Analysis

Related Compounds

methane;(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;trans-(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 160936177
5-(3-chloroprop-1-en-2-yl)-2-methylcyclohexan-1-one
CID 71340125
(1R,4S,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene
CID 124524881
3-methylcyclohexan-1-one;2-methylcyclopentan-1-one
CID 69228186
(2S,3S,6S)-3-methyl-2-(3-oxobutyl)-6-prop-1-en-2-ylcycloheptan-1-one
CID 16655281
ethane;3-methylcyclopentan-1-one
CID 142926670
[(1S,2R,5S,7R,8R,12S)-7-acetyloxy-2,8,12-trimethyl-10-oxo-5-prop-1-en-2-ylcyclotetradecyl] acetate
CID 163046380
5-hydroxy-2-methylcycloheptan-1-one
CID 20517423
(5S,8S,8aS)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,4,5,6,7,8,8a-octahydroazulene
CID 15834756
(2S,6S,9R)-2,6-dimethyl-9-(2-triethylsilyloxypropan-2-yl)cyclodecane-1,5-dione
CID 11111398
ethyl (2E)-2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]acetate
CID 135132587
(5S)-2-methyl-3-(2-oxopropyl)-5-prop-1-en-2-ylcyclohexan-1-one
CID 11052860

Frequently Asked Questions

What is the IUPAC name of (2R,6R,10R)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradecane-1,4,9-trione?
The IUPAC name of (2R,6R,10R)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradecane-1,4,9-trione (CID 23428264) is (2R,6R,10R)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradecane-1,4,9-trione.
What is the SMILES notation for (2R,6R,10R)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradecane-1,4,9-trione?
The canonical SMILES for (2R,6R,10R)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradecane-1,4,9-trione is C=C(C)C1CC[C@@H](C)C(=O)CC[C@@H](C)CC(=O)C[C@@H](C)C(=O)C1.
What is the InChIKey of (2R,6R,10R)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradecane-1,4,9-trione?
The InChIKey is KJJHMXXVXCQXRS-HJNZIYBASA-N. The full InChI is InChI=1S/C20H32O3/c1-13(2)17-8-7-15(4)19(22)9-6-14(3)10-18(21)11-16(5)20(23)12-17/h14-17H,1,6-12H2,2-5H3/t14-,15-,16-,17?/m1/s1.
What are the key properties of (2R,6R,10R)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradecane-1,4,9-trione?
(2R,6R,10R)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradecane-1,4,9-trione has a molecular weight of 320.47 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,10R)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradecane-1,4,9-trione is sourced from PubChem (CID 23428264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).