(7S,9E)-6-methoxy-7-methyl-2-methylidene-12-propan-2-yl-1-oxacyclododec-9-ene

C17H30O2 — CID 130238958

IUPAC(7S,9E)-6-methoxy-7-methyl-2-methylidene-12-propan-2-yl-1-oxacyclododec-9-ene
SMILESC=C1CCCC(OC)[C@@H](C)C/C=C/CC(C(C)C)O1
InChIInChI=1S/C17H30O2/c1-13(2)16-11-7-6-9-14(3)17(18-5)12-8-10-15(4)19-16/h6-7,13-14,16-17H,4,8-12H2,1-3,5H3/b7-6+/t14-,16?,17?/m0/s1
InChIKeyOBCONQWDZDMNBG-XIINVLKBSA-N
MW266.43 g/mol
LogP4.71
Rot. Bonds2

About (7S,9E)-6-methoxy-7-methyl-2-methylidene-12-propan-2-yl-1-oxacyclododec-9-ene

(7S,9E)-6-methoxy-7-methyl-2-methylidene-12-propan-2-yl-1-oxacyclododec-9-ene (PubChem CID 130238958) has the molecular formula C17H30O2 and a molecular weight of 266.43 g/mol. Its IUPAC name is (7S,9E)-6-methoxy-7-methyl-2-methylidene-12-propan-2-yl-1-oxacyclododec-9-ene.

Molecular Properties

Compound Name(7S,9E)-6-methoxy-7-methyl-2-methylidene-12-propan-2-yl-1-oxacyclododec-9-ene
PubChem CID130238958
Molecular FormulaC17H30O2
Molecular Weight266.43 g/mol
Exact Mass266.22
IUPAC Name(7S,9E)-6-methoxy-7-methyl-2-methylidene-12-propan-2-yl-1-oxacyclododec-9-ene
SMILESC=C1CCCC(OC)[C@@H](C)C/C=C/CC(C(C)C)O1
InChIInChI=1S/C17H30O2/c1-13(2)16-11-7-6-9-14(3)17(18-5)12-8-10-15(4)19-16/h6-7,13-14,16-17H,4,8-12H2,1-3,5H3/b7-6+/t14-,16?,17?/m0/s1
InChIKeyOBCONQWDZDMNBG-XIINVLKBSA-N
XLogP4.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7S,9E)-6-methoxy-7-methyl-2-methylidene-12-propan-2-yl-1-oxacyclododec-9-ene 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 (7S,9E)-6-methoxy-7-methyl-2-methylidene-12-propan-2-yl-1-oxacyclododec-9-ene?
The IUPAC name of (7S,9E)-6-methoxy-7-methyl-2-methylidene-12-propan-2-yl-1-oxacyclododec-9-ene (CID 130238958) is (7S,9E)-6-methoxy-7-methyl-2-methylidene-12-propan-2-yl-1-oxacyclododec-9-ene.
What is the SMILES notation for (7S,9E)-6-methoxy-7-methyl-2-methylidene-12-propan-2-yl-1-oxacyclododec-9-ene?
The canonical SMILES for (7S,9E)-6-methoxy-7-methyl-2-methylidene-12-propan-2-yl-1-oxacyclododec-9-ene is C=C1CCCC(OC)[C@@H](C)C/C=C/CC(C(C)C)O1.
What is the InChIKey of (7S,9E)-6-methoxy-7-methyl-2-methylidene-12-propan-2-yl-1-oxacyclododec-9-ene?
The InChIKey is OBCONQWDZDMNBG-XIINVLKBSA-N. The full InChI is InChI=1S/C17H30O2/c1-13(2)16-11-7-6-9-14(3)17(18-5)12-8-10-15(4)19-16/h6-7,13-14,16-17H,4,8-12H2,1-3,5H3/b7-6+/t14-,16?,17?/m0/s1.
What are the key properties of (7S,9E)-6-methoxy-7-methyl-2-methylidene-12-propan-2-yl-1-oxacyclododec-9-ene?
(7S,9E)-6-methoxy-7-methyl-2-methylidene-12-propan-2-yl-1-oxacyclododec-9-ene has a molecular weight of 266.43 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9E)-6-methoxy-7-methyl-2-methylidene-12-propan-2-yl-1-oxacyclododec-9-ene is sourced from PubChem (CID 130238958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).