(6Z,7Z)-3,3-dimethyl-6-[(E)-pent-3-enylidene]-7-prop-2-ynylidenecycloheptene

C17H22 — CID 142003731

IUPAC(6Z,7Z)-3,3-dimethyl-6-[(E)-pent-3-enylidene]-7-prop-2-ynylidenecycloheptene
SMILESC#C/C=C1/C=CC(C)(C)CC/C1=C/C/C=C/C
InChIInChI=1S/C17H22/c1-5-7-8-10-16-12-14-17(3,4)13-11-15(16)9-6-2/h2,5,7,9-11,13H,8,12,14H2,1,3-4H3/b7-5+,15-9-,16-10-
InChIKeyARRLQQKZYOTXOE-KBQGITIBSA-N
MW226.36 g/mol
LogP4.81
Rot. Bonds2

About (6Z,7Z)-3,3-dimethyl-6-[(E)-pent-3-enylidene]-7-prop-2-ynylidenecycloheptene

(6Z,7Z)-3,3-dimethyl-6-[(E)-pent-3-enylidene]-7-prop-2-ynylidenecycloheptene (PubChem CID 142003731) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is (6Z,7Z)-3,3-dimethyl-6-[(E)-pent-3-enylidene]-7-prop-2-ynylidenecycloheptene.

Molecular Properties

Compound Name(6Z,7Z)-3,3-dimethyl-6-[(E)-pent-3-enylidene]-7-prop-2-ynylidenecycloheptene
PubChem CID142003731
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name(6Z,7Z)-3,3-dimethyl-6-[(E)-pent-3-enylidene]-7-prop-2-ynylidenecycloheptene
SMILESC#C/C=C1/C=CC(C)(C)CC/C1=C/C/C=C/C
InChIInChI=1S/C17H22/c1-5-7-8-10-16-12-14-17(3,4)13-11-15(16)9-6-2/h2,5,7,9-11,13H,8,12,14H2,1,3-4H3/b7-5+,15-9-,16-10-
InChIKeyARRLQQKZYOTXOE-KBQGITIBSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z,7Z)-3,3-dimethyl-6-[(E)-pent-3-enylidene]-7-prop-2-ynylidenecycloheptene?
The IUPAC name of (6Z,7Z)-3,3-dimethyl-6-[(E)-pent-3-enylidene]-7-prop-2-ynylidenecycloheptene (CID 142003731) is (6Z,7Z)-3,3-dimethyl-6-[(E)-pent-3-enylidene]-7-prop-2-ynylidenecycloheptene.
What is the SMILES notation for (6Z,7Z)-3,3-dimethyl-6-[(E)-pent-3-enylidene]-7-prop-2-ynylidenecycloheptene?
The canonical SMILES for (6Z,7Z)-3,3-dimethyl-6-[(E)-pent-3-enylidene]-7-prop-2-ynylidenecycloheptene is C#C/C=C1/C=CC(C)(C)CC/C1=C/C/C=C/C.
What is the InChIKey of (6Z,7Z)-3,3-dimethyl-6-[(E)-pent-3-enylidene]-7-prop-2-ynylidenecycloheptene?
The InChIKey is ARRLQQKZYOTXOE-KBQGITIBSA-N. The full InChI is InChI=1S/C17H22/c1-5-7-8-10-16-12-14-17(3,4)13-11-15(16)9-6-2/h2,5,7,9-11,13H,8,12,14H2,1,3-4H3/b7-5+,15-9-,16-10-.
What are the key properties of (6Z,7Z)-3,3-dimethyl-6-[(E)-pent-3-enylidene]-7-prop-2-ynylidenecycloheptene?
(6Z,7Z)-3,3-dimethyl-6-[(E)-pent-3-enylidene]-7-prop-2-ynylidenecycloheptene has a molecular weight of 226.36 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,7Z)-3,3-dimethyl-6-[(E)-pent-3-enylidene]-7-prop-2-ynylidenecycloheptene is sourced from PubChem (CID 142003731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).