(1S,4S,6R,9S)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione

C12H14O2 — CID 124527531

IUPAC(1S,4S,6R,9S)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione
SMILESO=C1[C@H]2CC[C@@H]3C(=O)[C@@H]4CC[C@H]1C4C23
InChIInChI=1S/C12H14O2/c13-11-5-1-2-6-9(5)10-7(11)3-4-8(10)12(6)14/h5-10H,1-4H2/t5-,6-,7-,8+,9?,10?/m0/s1
InChIKeyLOBDTEAMNCFGCJ-CLEOHUHOSA-N
MW190.24 g/mol
LogP1.44
Rot. Bonds

About (1S,4S,6R,9S)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione

(1S,4S,6R,9S)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione (PubChem CID 124527531) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1S,4S,6R,9S)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione.

Molecular Properties

Compound Name(1S,4S,6R,9S)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione
PubChem CID124527531
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(1S,4S,6R,9S)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione
SMILESO=C1[C@H]2CC[C@@H]3C(=O)[C@@H]4CC[C@H]1C4C23
InChIInChI=1S/C12H14O2/c13-11-5-1-2-6-9(5)10-7(11)3-4-8(10)12(6)14/h5-10H,1-4H2/t5-,6-,7-,8+,9?,10?/m0/s1
InChIKeyLOBDTEAMNCFGCJ-CLEOHUHOSA-N
XLogP1.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,4S,6R,9S)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione with MolForge

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Related Compounds

(1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione
CID 97047562
2,10-dibromotetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione
CID 174042600
(1R,4R,8S,11S)-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadecane-5,7,12,14-tetrone
CID 139050845
(1R,2R,3S,4S)-2,3-difluorobicyclo[2.2.1]heptan-7-one
CID 100961369
tetracyclo[6.2.1.02,4.05,7]undecan-11-one
CID 130036613
tricyclo[5.3.1.12,6]dodecane-11,12-dione
CID 605937
(1S,3R,5S,7S)-tricyclo[5.1.0.03,5]octane-2,6-dione
CID 98164011
(2S,12R,16S,20R)-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosane-6,8,17,19-tetrone
CID 59360171
(1S,3R,6S,8S)-tricyclo[4.2.1.03,8]nonan-2-one
CID 139323023
2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one
CID 154595410
6,18-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosane-9,21-dione
CID 91570017
trans-(2S,6S)-2,6-dicyclohexylcyclohexan-1-one
CID 36691423

Frequently Asked Questions

What is the IUPAC name of (1S,4S,6R,9S)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione?
The IUPAC name of (1S,4S,6R,9S)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione (CID 124527531) is (1S,4S,6R,9S)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione.
What is the SMILES notation for (1S,4S,6R,9S)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione?
The canonical SMILES for (1S,4S,6R,9S)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione is O=C1[C@H]2CC[C@@H]3C(=O)[C@@H]4CC[C@H]1C4C23.
What is the InChIKey of (1S,4S,6R,9S)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione?
The InChIKey is LOBDTEAMNCFGCJ-CLEOHUHOSA-N. The full InChI is InChI=1S/C12H14O2/c13-11-5-1-2-6-9(5)10-7(11)3-4-8(10)12(6)14/h5-10H,1-4H2/t5-,6-,7-,8+,9?,10?/m0/s1.
What are the key properties of (1S,4S,6R,9S)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione?
(1S,4S,6R,9S)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione has a molecular weight of 190.24 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,6R,9S)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione is sourced from PubChem (CID 124527531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).