(7R)-7-methyl-3-(2-methylpropoxy)-7-prop-2-enylcyclohept-2-en-1-one

C15H24O2 — CID 162418543

IUPAC(7R)-7-methyl-3-(2-methylpropoxy)-7-prop-2-enylcyclohept-2-en-1-one
SMILESC=CC[C@@]1(C)CCCC(OCC(C)C)=CC1=O
InChIInChI=1S/C15H24O2/c1-5-8-15(4)9-6-7-13(10-14(15)16)17-11-12(2)3/h5,10,12H,1,6-9,11H2,2-4H3/t15-/m0/s1
InChIKeyGVPNMPOWCARIBR-HNNXBMFYSA-N
MW236.35 g/mol
LogP3.88
Rot. Bonds5

About (7R)-7-methyl-3-(2-methylpropoxy)-7-prop-2-enylcyclohept-2-en-1-one

(7R)-7-methyl-3-(2-methylpropoxy)-7-prop-2-enylcyclohept-2-en-1-one (PubChem CID 162418543) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (7R)-7-methyl-3-(2-methylpropoxy)-7-prop-2-enylcyclohept-2-en-1-one.

Molecular Properties

Compound Name(7R)-7-methyl-3-(2-methylpropoxy)-7-prop-2-enylcyclohept-2-en-1-one
PubChem CID162418543
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(7R)-7-methyl-3-(2-methylpropoxy)-7-prop-2-enylcyclohept-2-en-1-one
SMILESC=CC[C@@]1(C)CCCC(OCC(C)C)=CC1=O
InChIInChI=1S/C15H24O2/c1-5-8-15(4)9-6-7-13(10-14(15)16)17-11-12(2)3/h5,10,12H,1,6-9,11H2,2-4H3/t15-/m0/s1
InChIKeyGVPNMPOWCARIBR-HNNXBMFYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-methyl-3-(2-methylpropoxy)-7-prop-2-enylcyclohept-2-en-1-one?
The IUPAC name of (7R)-7-methyl-3-(2-methylpropoxy)-7-prop-2-enylcyclohept-2-en-1-one (CID 162418543) is (7R)-7-methyl-3-(2-methylpropoxy)-7-prop-2-enylcyclohept-2-en-1-one.
What is the SMILES notation for (7R)-7-methyl-3-(2-methylpropoxy)-7-prop-2-enylcyclohept-2-en-1-one?
The canonical SMILES for (7R)-7-methyl-3-(2-methylpropoxy)-7-prop-2-enylcyclohept-2-en-1-one is C=CC[C@@]1(C)CCCC(OCC(C)C)=CC1=O.
What is the InChIKey of (7R)-7-methyl-3-(2-methylpropoxy)-7-prop-2-enylcyclohept-2-en-1-one?
The InChIKey is GVPNMPOWCARIBR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-8-15(4)9-6-7-13(10-14(15)16)17-11-12(2)3/h5,10,12H,1,6-9,11H2,2-4H3/t15-/m0/s1.
What are the key properties of (7R)-7-methyl-3-(2-methylpropoxy)-7-prop-2-enylcyclohept-2-en-1-one?
(7R)-7-methyl-3-(2-methylpropoxy)-7-prop-2-enylcyclohept-2-en-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-methyl-3-(2-methylpropoxy)-7-prop-2-enylcyclohept-2-en-1-one is sourced from PubChem (CID 162418543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).