(1R,5S,8R,12S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7-dione

C18H22O2 — CID 10754531

IUPAC(1R,5S,8R,12S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7-dione
SMILESCC12C3C4C[C@@H](C(=O)C4=O)C3C1(C)C1C2[C@@H]2CC[C@H]1C2
InChIInChI=1S/C18H22O2/c1-17-11-7-3-4-8(5-7)12(11)18(17,2)14-10-6-9(13(14)17)15(19)16(10)20/h7-14H,3-6H2,1-2H3/t7-,8+,9+,10?,11?,12?,13?,14?,17?,18?/m0/s1
InChIKeyXIYGOKAFUXNTLQ-IGVHTKFASA-N
MW270.37 g/mol
LogP2.71
Rot. Bonds

About (1R,5S,8R,12S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7-dione

(1R,5S,8R,12S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7-dione (PubChem CID 10754531) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (1R,5S,8R,12S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7-dione.

Molecular Properties

Compound Name(1R,5S,8R,12S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7-dione
PubChem CID10754531
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(1R,5S,8R,12S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7-dione
SMILESCC12C3C4C[C@@H](C(=O)C4=O)C3C1(C)C1C2[C@@H]2CC[C@H]1C2
InChIInChI=1S/C18H22O2/c1-17-11-7-3-4-8(5-7)12(11)18(17,2)14-10-6-9(13(14)17)15(19)16(10)20/h7-14H,3-6H2,1-2H3/t7-,8+,9+,10?,11?,12?,13?,14?,17?,18?/m0/s1
InChIKeyXIYGOKAFUXNTLQ-IGVHTKFASA-N
XLogP2.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'cycloheptane_1', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze (1R,5S,8R,12S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R,3S,4S,5R,8S,9R,10R,11S,12S,13R,14R,17S,18S)-3,10-dimethyloctacyclo[10.6.1.15,8.114,17.02,11.03,10.04,9.013,18]henicos-15-en-20-one
CID 10710859
(1R,5S,6S,7R,8R)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7-diol
CID 169451108
5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 21049883
(1R,2S,4R,5S,16R,17S,19R,20S)-3,18-dimethyldecacyclo[18.10.1.15,16.02,19.03,18.04,17.06,15.08,13.021,30.023,28]dotriaconta-6,8,10,12,14,21,23,25,27,29-decaene
CID 101040367
(3aR,7aS)-4,4,7-trimethyl-2,3,3a,7a-tetrahydro-1H-inden-5-one
CID 130765269
(1S,2R,3R,8R,9S,10S)-6,6,8-trimethyltetracyclo[8.2.1.02,9.03,8]tridecan-4-one
CID 124935588
(1R,2R,4S,5S,8R,9R,11R,12R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadecane-3,10-dione
CID 98477807
(1S,2R,3S,5R,6S,7R)-4,4-dimethyltetracyclo[5.2.1.02,6.03,5]decane
CID 134980447
9-methylpentacyclo[6.2.1.13,6.01,9.02,7]dodecane
CID 163588261
(1S,4S)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione
CID 98048147
(2'R,4'S)-5,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)spiro[1,3-diazinane-2,3'-tricyclo[3.2.1.02,4]octane]-4,6-dione
CID 56588007
(1R,2S,3R,4R,5R,6S,7S,10R,11R,12S,13S,14S,15R,16S)-3,14-dimethylnonacyclo[14.6.1.15,12.17,10.02,15.03,14.04,13.06,11.017,22]pentacosa-8,17,19,21-tetraen-25-one
CID 10619052

Frequently Asked Questions

What is the IUPAC name of (1R,5S,8R,12S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7-dione?
The IUPAC name of (1R,5S,8R,12S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7-dione (CID 10754531) is (1R,5S,8R,12S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7-dione.
What is the SMILES notation for (1R,5S,8R,12S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7-dione?
The canonical SMILES for (1R,5S,8R,12S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7-dione is CC12C3C4C[C@@H](C(=O)C4=O)C3C1(C)C1C2[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1R,5S,8R,12S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7-dione?
The InChIKey is XIYGOKAFUXNTLQ-IGVHTKFASA-N. The full InChI is InChI=1S/C18H22O2/c1-17-11-7-3-4-8(5-7)12(11)18(17,2)14-10-6-9(13(14)17)15(19)16(10)20/h7-14H,3-6H2,1-2H3/t7-,8+,9+,10?,11?,12?,13?,14?,17?,18?/m0/s1.
What are the key properties of (1R,5S,8R,12S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7-dione?
(1R,5S,8R,12S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7-dione has a molecular weight of 270.37 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,8R,12S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7-dione is sourced from PubChem (CID 10754531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).