(7S)-7-methoxy-1-methylcyclohepta-1,3-diene

C9H14O — CID 142112949

IUPAC(7S)-7-methoxy-1-methylcyclohepta-1,3-diene
SMILESCO[C@H]1CCC=CC=C1C
InChIInChI=1S/C9H14O/c1-8-6-4-3-5-7-9(8)10-2/h3-4,6,9H,5,7H2,1-2H3/t9-/m0/s1
InChIKeyOLGBDHWTLXSJMV-VIFPVBQESA-N
MW138.21 g/mol
LogP2.30
Rot. Bonds1

About (7S)-7-methoxy-1-methylcyclohepta-1,3-diene

(7S)-7-methoxy-1-methylcyclohepta-1,3-diene (PubChem CID 142112949) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (7S)-7-methoxy-1-methylcyclohepta-1,3-diene.

Molecular Properties

Compound Name(7S)-7-methoxy-1-methylcyclohepta-1,3-diene
PubChem CID142112949
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(7S)-7-methoxy-1-methylcyclohepta-1,3-diene
SMILESCO[C@H]1CCC=CC=C1C
InChIInChI=1S/C9H14O/c1-8-6-4-3-5-7-9(8)10-2/h3-4,6,9H,5,7H2,1-2H3/t9-/m0/s1
InChIKeyOLGBDHWTLXSJMV-VIFPVBQESA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-methoxy-1-methylcyclohepta-1,3-diene?
The IUPAC name of (7S)-7-methoxy-1-methylcyclohepta-1,3-diene (CID 142112949) is (7S)-7-methoxy-1-methylcyclohepta-1,3-diene.
What is the SMILES notation for (7S)-7-methoxy-1-methylcyclohepta-1,3-diene?
The canonical SMILES for (7S)-7-methoxy-1-methylcyclohepta-1,3-diene is CO[C@H]1CCC=CC=C1C.
What is the InChIKey of (7S)-7-methoxy-1-methylcyclohepta-1,3-diene?
The InChIKey is OLGBDHWTLXSJMV-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14O/c1-8-6-4-3-5-7-9(8)10-2/h3-4,6,9H,5,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (7S)-7-methoxy-1-methylcyclohepta-1,3-diene?
(7S)-7-methoxy-1-methylcyclohepta-1,3-diene has a molecular weight of 138.21 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methoxy-1-methylcyclohepta-1,3-diene is sourced from PubChem (CID 142112949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).