(3R)-3-[(1S,3S)-3-ethyl-2,2-dimethylcyclopropyl]-4-methylidenehept-6-en-2-one

C15H24O — CID 143362675

IUPAC(3R)-3-[(1S,3S)-3-ethyl-2,2-dimethylcyclopropyl]-4-methylidenehept-6-en-2-one
SMILESC=CCC(=C)[C@H](C(C)=O)[C@@H]1[C@H](CC)C1(C)C
InChIInChI=1S/C15H24O/c1-7-9-10(3)13(11(4)16)14-12(8-2)15(14,5)6/h7,12-14H,1,3,8-9H2,2,4-6H3/t12-,13+,14-/m0/s1
InChIKeyHIZPVHYNFUTTIY-MJBXVCDLSA-N
MW220.36 g/mol
LogP4.01
Rot. Bonds6

About (3R)-3-[(1S,3S)-3-ethyl-2,2-dimethylcyclopropyl]-4-methylidenehept-6-en-2-one

(3R)-3-[(1S,3S)-3-ethyl-2,2-dimethylcyclopropyl]-4-methylidenehept-6-en-2-one (PubChem CID 143362675) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (3R)-3-[(1S,3S)-3-ethyl-2,2-dimethylcyclopropyl]-4-methylidenehept-6-en-2-one.

Molecular Properties

Compound Name(3R)-3-[(1S,3S)-3-ethyl-2,2-dimethylcyclopropyl]-4-methylidenehept-6-en-2-one
PubChem CID143362675
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(3R)-3-[(1S,3S)-3-ethyl-2,2-dimethylcyclopropyl]-4-methylidenehept-6-en-2-one
SMILESC=CCC(=C)[C@H](C(C)=O)[C@@H]1[C@H](CC)C1(C)C
InChIInChI=1S/C15H24O/c1-7-9-10(3)13(11(4)16)14-12(8-2)15(14,5)6/h7,12-14H,1,3,8-9H2,2,4-6H3/t12-,13+,14-/m0/s1
InChIKeyHIZPVHYNFUTTIY-MJBXVCDLSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3R)-3-[(1S,3S)-3-ethyl-2,2-dimethylcyclopropyl]-4-methylidenehept-6-en-2-one?
The IUPAC name of (3R)-3-[(1S,3S)-3-ethyl-2,2-dimethylcyclopropyl]-4-methylidenehept-6-en-2-one (CID 143362675) is (3R)-3-[(1S,3S)-3-ethyl-2,2-dimethylcyclopropyl]-4-methylidenehept-6-en-2-one.
What is the SMILES notation for (3R)-3-[(1S,3S)-3-ethyl-2,2-dimethylcyclopropyl]-4-methylidenehept-6-en-2-one?
The canonical SMILES for (3R)-3-[(1S,3S)-3-ethyl-2,2-dimethylcyclopropyl]-4-methylidenehept-6-en-2-one is C=CCC(=C)[C@H](C(C)=O)[C@@H]1[C@H](CC)C1(C)C.
What is the InChIKey of (3R)-3-[(1S,3S)-3-ethyl-2,2-dimethylcyclopropyl]-4-methylidenehept-6-en-2-one?
The InChIKey is HIZPVHYNFUTTIY-MJBXVCDLSA-N. The full InChI is InChI=1S/C15H24O/c1-7-9-10(3)13(11(4)16)14-12(8-2)15(14,5)6/h7,12-14H,1,3,8-9H2,2,4-6H3/t12-,13+,14-/m0/s1.
What are the key properties of (3R)-3-[(1S,3S)-3-ethyl-2,2-dimethylcyclopropyl]-4-methylidenehept-6-en-2-one?
(3R)-3-[(1S,3S)-3-ethyl-2,2-dimethylcyclopropyl]-4-methylidenehept-6-en-2-one has a molecular weight of 220.36 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S,3S)-3-ethyl-2,2-dimethylcyclopropyl]-4-methylidenehept-6-en-2-one is sourced from PubChem (CID 143362675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).