(3R,6S,9S)-7-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene

C15H27F — CID 91497215

IUPAC(3R,6S,9S)-7-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene
SMILESCC(C)[C@@H]1CC[C@@H](C)C=CC[C@H](C)CC1F
InChIInChI=1S/C15H27F/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h5-6,11-15H,7-10H2,1-4H3/t12-,13-,14-,15?/m0/s1
InChIKeyBIHWJPIIPGFJJL-LOKSQKBWSA-N
MW226.38 g/mol
LogP5.00
Rot. Bonds1

About (3R,6S,9S)-7-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene

(3R,6S,9S)-7-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene (PubChem CID 91497215) has the molecular formula C15H27F and a molecular weight of 226.38 g/mol. Its IUPAC name is (3R,6S,9S)-7-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene.

Molecular Properties

Compound Name(3R,6S,9S)-7-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene
PubChem CID91497215
Molecular FormulaC15H27F
Molecular Weight226.38 g/mol
Exact Mass226.21
IUPAC Name(3R,6S,9S)-7-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene
SMILESCC(C)[C@@H]1CC[C@@H](C)C=CC[C@H](C)CC1F
InChIInChI=1S/C15H27F/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h5-6,11-15H,7-10H2,1-4H3/t12-,13-,14-,15?/m0/s1
InChIKeyBIHWJPIIPGFJJL-LOKSQKBWSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.38
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

delta-Cadinene
CID 441005
Germacrene D
CID 5317570
Alpha-muurolene, (-)-
CID 12306047
(1E,6E)-1-methyl-5-methylidene-8-(propan-2-yl)cyclodeca-1,6-diene
CID 6436582
(-)-delta-Cadinene
CID 12306055
alpha-Cadinene, (+)-
CID 12306048
(+)-Germacrene D
CID 24771782
Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)-
CID 10223
1,2,4a,5,6,8a-Hexahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene
CID 101708
(-)-alpha-Amorphene
CID 12306052
(+)-alpha-Amorphene
CID 12306046
3-(1-Methylethyl)cyclohexene
CID 520966

Frequently Asked Questions

What is the IUPAC name of (3R,6S,9S)-7-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene?
The IUPAC name of (3R,6S,9S)-7-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene (CID 91497215) is (3R,6S,9S)-7-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene.
What is the SMILES notation for (3R,6S,9S)-7-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene?
The canonical SMILES for (3R,6S,9S)-7-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene is CC(C)[C@@H]1CC[C@@H](C)C=CC[C@H](C)CC1F.
What is the InChIKey of (3R,6S,9S)-7-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene?
The InChIKey is BIHWJPIIPGFJJL-LOKSQKBWSA-N. The full InChI is InChI=1S/C15H27F/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h5-6,11-15H,7-10H2,1-4H3/t12-,13-,14-,15?/m0/s1.
What are the key properties of (3R,6S,9S)-7-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene?
(3R,6S,9S)-7-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene has a molecular weight of 226.38 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S,9S)-7-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene is sourced from PubChem (CID 91497215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).