(1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane

C14H22 — CID 102370300

IUPAC(1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane
SMILESC[C@@H]1[C@H](C)[C@H]2[C@H]3C[C@H]([C@H]4CCC[C@H]43)[C@@H]12
InChIInChI=1S/C14H22/c1-7-8(2)14-12-6-11(13(7)14)9-4-3-5-10(9)12/h7-14H,3-6H2,1-2H3/t7-,8+,9+,10-,11-,12+,13-,14+
InChIKeyRQVYTPRKJFIKLU-WBRCCVPBSA-N
MW190.33 g/mol
LogP3.57
Rot. Bonds

About (1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane

(1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane (PubChem CID 102370300) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane.

Molecular Properties

Compound Name(1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane
PubChem CID102370300
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane
SMILESC[C@@H]1[C@H](C)[C@H]2[C@H]3C[C@H]([C@H]4CCC[C@H]43)[C@@H]12
InChIInChI=1S/C14H22/c1-7-8(2)14-12-6-11(13(7)14)9-4-3-5-10(9)12/h7-14H,3-6H2,1-2H3/t7-,8+,9+,10-,11-,12+,13-,14+
InChIKeyRQVYTPRKJFIKLU-WBRCCVPBSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane 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

ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 91597819
ethane;tricyclo[5.3.0.02,6]decane
CID 158606562
7-methyltricyclo[4.3.0.02,9]nonane
CID 152833936
pentacyclo[10.8.0.02,11.06,17.07,16]icosane
CID 101138772
pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene
CID 14458344
tetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane)
CID 158145834
5,7-diethylhexacyclo[9.5.1.13,9.02,10.04,8.012,16]octadecane
CID 59460136
cis-(1R,2S)-1-methyl-2-[(1R,2R)-2-[(1S,2R)-2-[(1S,2S)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane;cis-(1R,2S)-1-methyl-2-[(1S,2S)-2-[(1S,2R)-2-[(1R,2R)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane
CID 157247128
(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
CID 101375325
(6S)-6,7-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 91056108
4,5-dimethylpentacyclo[6.6.1.13,6.02,7.09,14]hexadec-4-ene
CID 141010985
10-methyltetracyclo[7.3.1.02,7.06,11]tridecane
CID 59760764

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane?
The IUPAC name of (1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane (CID 102370300) is (1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane.
What is the SMILES notation for (1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane?
The canonical SMILES for (1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane is C[C@@H]1[C@H](C)[C@H]2[C@H]3C[C@H]([C@H]4CCC[C@H]43)[C@@H]12.
What is the InChIKey of (1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane?
The InChIKey is RQVYTPRKJFIKLU-WBRCCVPBSA-N. The full InChI is InChI=1S/C14H22/c1-7-8(2)14-12-6-11(13(7)14)9-4-3-5-10(9)12/h7-14H,3-6H2,1-2H3/t7-,8+,9+,10-,11-,12+,13-,14+.
What are the key properties of (1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane?
(1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane has a molecular weight of 190.33 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane is sourced from PubChem (CID 102370300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).