(1R,3S,7S,11R)-9-hydroxy-9-methyltricyclo[9.3.0.03,7]tetradecan-2-one

C15H24O2 — CID 102242357

IUPAC(1R,3S,7S,11R)-9-hydroxy-9-methyltricyclo[9.3.0.03,7]tetradecan-2-one
SMILESCC1(O)C[C@@H]2CCC[C@@H]2C(=O)[C@@H]2CCC[C@@H]2C1
InChIInChI=1S/C15H24O2/c1-15(17)8-10-4-2-6-12(10)14(16)13-7-3-5-11(13)9-15/h10-13,17H,2-9H2,1H3/t10-,11+,12-,13+,15?
InChIKeyGMCLNRFMFDSCSC-VOIJVTEESA-N
MW236.35 g/mol
LogP2.93
Rot. Bonds

About (1R,3S,7S,11R)-9-hydroxy-9-methyltricyclo[9.3.0.03,7]tetradecan-2-one

(1R,3S,7S,11R)-9-hydroxy-9-methyltricyclo[9.3.0.03,7]tetradecan-2-one (PubChem CID 102242357) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1R,3S,7S,11R)-9-hydroxy-9-methyltricyclo[9.3.0.03,7]tetradecan-2-one.

Molecular Properties

Compound Name(1R,3S,7S,11R)-9-hydroxy-9-methyltricyclo[9.3.0.03,7]tetradecan-2-one
PubChem CID102242357
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1R,3S,7S,11R)-9-hydroxy-9-methyltricyclo[9.3.0.03,7]tetradecan-2-one
SMILESCC1(O)C[C@@H]2CCC[C@@H]2C(=O)[C@@H]2CCC[C@@H]2C1
InChIInChI=1S/C15H24O2/c1-15(17)8-10-4-2-6-12(10)14(16)13-7-3-5-11(13)9-15/h10-13,17H,2-9H2,1H3/t10-,11+,12-,13+,15?
InChIKeyGMCLNRFMFDSCSC-VOIJVTEESA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,7S,11R)-9-hydroxy-9-methyltricyclo[9.3.0.03,7]tetradecan-2-one?
The IUPAC name of (1R,3S,7S,11R)-9-hydroxy-9-methyltricyclo[9.3.0.03,7]tetradecan-2-one (CID 102242357) is (1R,3S,7S,11R)-9-hydroxy-9-methyltricyclo[9.3.0.03,7]tetradecan-2-one.
What is the SMILES notation for (1R,3S,7S,11R)-9-hydroxy-9-methyltricyclo[9.3.0.03,7]tetradecan-2-one?
The canonical SMILES for (1R,3S,7S,11R)-9-hydroxy-9-methyltricyclo[9.3.0.03,7]tetradecan-2-one is CC1(O)C[C@@H]2CCC[C@@H]2C(=O)[C@@H]2CCC[C@@H]2C1.
What is the InChIKey of (1R,3S,7S,11R)-9-hydroxy-9-methyltricyclo[9.3.0.03,7]tetradecan-2-one?
The InChIKey is GMCLNRFMFDSCSC-VOIJVTEESA-N. The full InChI is InChI=1S/C15H24O2/c1-15(17)8-10-4-2-6-12(10)14(16)13-7-3-5-11(13)9-15/h10-13,17H,2-9H2,1H3/t10-,11+,12-,13+,15?.
What are the key properties of (1R,3S,7S,11R)-9-hydroxy-9-methyltricyclo[9.3.0.03,7]tetradecan-2-one?
(1R,3S,7S,11R)-9-hydroxy-9-methyltricyclo[9.3.0.03,7]tetradecan-2-one has a molecular weight of 236.35 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,7S,11R)-9-hydroxy-9-methyltricyclo[9.3.0.03,7]tetradecan-2-one is sourced from PubChem (CID 102242357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).