[(4R,7S,8S,10S)-5,5,10-trimethyl-8-tetracyclo[6.4.0.02,10.04,7]dodecanyl] acetate

C17H26O2 — CID 90336149

IUPAC[(4R,7S,8S,10S)-5,5,10-trimethyl-8-tetracyclo[6.4.0.02,10.04,7]dodecanyl] acetate
SMILESCC(=O)O[C@@]12C[C@]3(C)CCC1C3C[C@@H]1[C@@H]2CC1(C)C
InChIInChI=1S/C17H26O2/c1-10(18)19-17-9-16(4)6-5-11(17)13(16)7-12-14(17)8-15(12,2)3/h11-14H,5-9H2,1-4H3/t11?,12-,13?,14+,16+,17+/m1/s1
InChIKeyKJNAVBXJHXTGNN-CXQFTONOSA-N
MW262.39 g/mol
LogP3.79
Rot. Bonds1

About [(4R,7S,8S,10S)-5,5,10-trimethyl-8-tetracyclo[6.4.0.02,10.04,7]dodecanyl] acetate

[(4R,7S,8S,10S)-5,5,10-trimethyl-8-tetracyclo[6.4.0.02,10.04,7]dodecanyl] acetate (PubChem CID 90336149) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is [(4R,7S,8S,10S)-5,5,10-trimethyl-8-tetracyclo[6.4.0.02,10.04,7]dodecanyl] acetate.

Molecular Properties

Compound Name[(4R,7S,8S,10S)-5,5,10-trimethyl-8-tetracyclo[6.4.0.02,10.04,7]dodecanyl] acetate
PubChem CID90336149
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name[(4R,7S,8S,10S)-5,5,10-trimethyl-8-tetracyclo[6.4.0.02,10.04,7]dodecanyl] acetate
SMILESCC(=O)O[C@@]12C[C@]3(C)CCC1C3C[C@@H]1[C@@H]2CC1(C)C
InChIInChI=1S/C17H26O2/c1-10(18)19-17-9-16(4)6-5-11(17)13(16)7-12-14(17)8-15(12,2)3/h11-14H,5-9H2,1-4H3/t11?,12-,13?,14+,16+,17+/m1/s1
InChIKeyKJNAVBXJHXTGNN-CXQFTONOSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(4R,7S,8S,10S)-5,5,10-trimethyl-8-tetracyclo[6.4.0.02,10.04,7]dodecanyl] acetate?
The IUPAC name of [(4R,7S,8S,10S)-5,5,10-trimethyl-8-tetracyclo[6.4.0.02,10.04,7]dodecanyl] acetate (CID 90336149) is [(4R,7S,8S,10S)-5,5,10-trimethyl-8-tetracyclo[6.4.0.02,10.04,7]dodecanyl] acetate.
What is the SMILES notation for [(4R,7S,8S,10S)-5,5,10-trimethyl-8-tetracyclo[6.4.0.02,10.04,7]dodecanyl] acetate?
The canonical SMILES for [(4R,7S,8S,10S)-5,5,10-trimethyl-8-tetracyclo[6.4.0.02,10.04,7]dodecanyl] acetate is CC(=O)O[C@@]12C[C@]3(C)CCC1C3C[C@@H]1[C@@H]2CC1(C)C.
What is the InChIKey of [(4R,7S,8S,10S)-5,5,10-trimethyl-8-tetracyclo[6.4.0.02,10.04,7]dodecanyl] acetate?
The InChIKey is KJNAVBXJHXTGNN-CXQFTONOSA-N. The full InChI is InChI=1S/C17H26O2/c1-10(18)19-17-9-16(4)6-5-11(17)13(16)7-12-14(17)8-15(12,2)3/h11-14H,5-9H2,1-4H3/t11?,12-,13?,14+,16+,17+/m1/s1.
What are the key properties of [(4R,7S,8S,10S)-5,5,10-trimethyl-8-tetracyclo[6.4.0.02,10.04,7]dodecanyl] acetate?
[(4R,7S,8S,10S)-5,5,10-trimethyl-8-tetracyclo[6.4.0.02,10.04,7]dodecanyl] acetate has a molecular weight of 262.39 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,7S,8S,10S)-5,5,10-trimethyl-8-tetracyclo[6.4.0.02,10.04,7]dodecanyl] acetate is sourced from PubChem (CID 90336149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).