(6S)-1-[(E,4S,7S)-8-fluoro-7-methylundec-8-en-4-yl]-6-methoxy-3-methylcyclohexa-1,3-diene

C20H33FO — CID 131969443

IUPAC(6S)-1-[(E,4S,7S)-8-fluoro-7-methylundec-8-en-4-yl]-6-methoxy-3-methylcyclohexa-1,3-diene
SMILESCC/C=C(/F)[C@@H](C)CC[C@H](CCC)C1=CC(C)=CC[C@@H]1OC
InChIInChI=1S/C20H33FO/c1-6-8-17(12-11-16(4)19(21)9-7-2)18-14-15(3)10-13-20(18)22-5/h9-10,14,16-17,20H,6-8,11-13H2,1-5H3/b19-9+/t16-,17-,20-/m0/s1
InChIKeyGBGOXQGZQNLQGD-UYAHUYAGSA-N
MW308.48 g/mol
LogP6.37
Rot. Bonds9

About (6S)-1-[(E,4S,7S)-8-fluoro-7-methylundec-8-en-4-yl]-6-methoxy-3-methylcyclohexa-1,3-diene

(6S)-1-[(E,4S,7S)-8-fluoro-7-methylundec-8-en-4-yl]-6-methoxy-3-methylcyclohexa-1,3-diene (PubChem CID 131969443) has the molecular formula C20H33FO and a molecular weight of 308.48 g/mol. Its IUPAC name is (6S)-1-[(E,4S,7S)-8-fluoro-7-methylundec-8-en-4-yl]-6-methoxy-3-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(6S)-1-[(E,4S,7S)-8-fluoro-7-methylundec-8-en-4-yl]-6-methoxy-3-methylcyclohexa-1,3-diene
PubChem CID131969443
Molecular FormulaC20H33FO
Molecular Weight308.48 g/mol
Exact Mass308.25
IUPAC Name(6S)-1-[(E,4S,7S)-8-fluoro-7-methylundec-8-en-4-yl]-6-methoxy-3-methylcyclohexa-1,3-diene
SMILESCC/C=C(/F)[C@@H](C)CC[C@H](CCC)C1=CC(C)=CC[C@@H]1OC
InChIInChI=1S/C20H33FO/c1-6-8-17(12-11-16(4)19(21)9-7-2)18-14-15(3)10-13-20(18)22-5/h9-10,14,16-17,20H,6-8,11-13H2,1-5H3/b19-9+/t16-,17-,20-/m0/s1
InChIKeyGBGOXQGZQNLQGD-UYAHUYAGSA-N
XLogP6.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.48
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (6S)-1-[(E,4S,7S)-8-fluoro-7-methylundec-8-en-4-yl]-6-methoxy-3-methylcyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-1-[(E,4S,7S)-8-fluoro-7-methylundec-8-en-4-yl]-6-methoxy-3-methylcyclohexa-1,3-diene?
The IUPAC name of (6S)-1-[(E,4S,7S)-8-fluoro-7-methylundec-8-en-4-yl]-6-methoxy-3-methylcyclohexa-1,3-diene (CID 131969443) is (6S)-1-[(E,4S,7S)-8-fluoro-7-methylundec-8-en-4-yl]-6-methoxy-3-methylcyclohexa-1,3-diene.
What is the SMILES notation for (6S)-1-[(E,4S,7S)-8-fluoro-7-methylundec-8-en-4-yl]-6-methoxy-3-methylcyclohexa-1,3-diene?
The canonical SMILES for (6S)-1-[(E,4S,7S)-8-fluoro-7-methylundec-8-en-4-yl]-6-methoxy-3-methylcyclohexa-1,3-diene is CC/C=C(/F)[C@@H](C)CC[C@H](CCC)C1=CC(C)=CC[C@@H]1OC.
What is the InChIKey of (6S)-1-[(E,4S,7S)-8-fluoro-7-methylundec-8-en-4-yl]-6-methoxy-3-methylcyclohexa-1,3-diene?
The InChIKey is GBGOXQGZQNLQGD-UYAHUYAGSA-N. The full InChI is InChI=1S/C20H33FO/c1-6-8-17(12-11-16(4)19(21)9-7-2)18-14-15(3)10-13-20(18)22-5/h9-10,14,16-17,20H,6-8,11-13H2,1-5H3/b19-9+/t16-,17-,20-/m0/s1.
What are the key properties of (6S)-1-[(E,4S,7S)-8-fluoro-7-methylundec-8-en-4-yl]-6-methoxy-3-methylcyclohexa-1,3-diene?
(6S)-1-[(E,4S,7S)-8-fluoro-7-methylundec-8-en-4-yl]-6-methoxy-3-methylcyclohexa-1,3-diene has a molecular weight of 308.48 g/mol, XLogP of 6.37, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-[(E,4S,7S)-8-fluoro-7-methylundec-8-en-4-yl]-6-methoxy-3-methylcyclohexa-1,3-diene is sourced from PubChem (CID 131969443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).