(1E,3Z,5Z)-1-methyl-7,8-dimethylidene-6-propylcycloocta-1,3,5-triene

C14H18 — CID 163384527

IUPAC(1E,3Z,5Z)-1-methyl-7,8-dimethylidene-6-propylcycloocta-1,3,5-triene
SMILESC=C1C(=C)/C(C)=C/C=C\C=C/1CCC
InChIInChI=1S/C14H18/c1-5-8-14-10-7-6-9-11(2)12(3)13(14)4/h6-7,9-10H,3-5,8H2,1-2H3/b7-6-,11-9-,14-10-
InChIKeyRQNXIYRCJDOQIX-IKSSRSOUSA-N
MW186.30 g/mol
LogP4.34
Rot. Bonds2

About (1E,3Z,5Z)-1-methyl-7,8-dimethylidene-6-propylcycloocta-1,3,5-triene

(1E,3Z,5Z)-1-methyl-7,8-dimethylidene-6-propylcycloocta-1,3,5-triene (PubChem CID 163384527) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is (1E,3Z,5Z)-1-methyl-7,8-dimethylidene-6-propylcycloocta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z,5Z)-1-methyl-7,8-dimethylidene-6-propylcycloocta-1,3,5-triene
PubChem CID163384527
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name(1E,3Z,5Z)-1-methyl-7,8-dimethylidene-6-propylcycloocta-1,3,5-triene
SMILESC=C1C(=C)/C(C)=C/C=C\C=C/1CCC
InChIInChI=1S/C14H18/c1-5-8-14-10-7-6-9-11(2)12(3)13(14)4/h6-7,9-10H,3-5,8H2,1-2H3/b7-6-,11-9-,14-10-
InChIKeyRQNXIYRCJDOQIX-IKSSRSOUSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5Z)-1-methyl-7,8-dimethylidene-6-propylcycloocta-1,3,5-triene?
The IUPAC name of (1E,3Z,5Z)-1-methyl-7,8-dimethylidene-6-propylcycloocta-1,3,5-triene (CID 163384527) is (1E,3Z,5Z)-1-methyl-7,8-dimethylidene-6-propylcycloocta-1,3,5-triene.
What is the SMILES notation for (1E,3Z,5Z)-1-methyl-7,8-dimethylidene-6-propylcycloocta-1,3,5-triene?
The canonical SMILES for (1E,3Z,5Z)-1-methyl-7,8-dimethylidene-6-propylcycloocta-1,3,5-triene is C=C1C(=C)/C(C)=C/C=C\C=C/1CCC.
What is the InChIKey of (1E,3Z,5Z)-1-methyl-7,8-dimethylidene-6-propylcycloocta-1,3,5-triene?
The InChIKey is RQNXIYRCJDOQIX-IKSSRSOUSA-N. The full InChI is InChI=1S/C14H18/c1-5-8-14-10-7-6-9-11(2)12(3)13(14)4/h6-7,9-10H,3-5,8H2,1-2H3/b7-6-,11-9-,14-10-.
What are the key properties of (1E,3Z,5Z)-1-methyl-7,8-dimethylidene-6-propylcycloocta-1,3,5-triene?
(1E,3Z,5Z)-1-methyl-7,8-dimethylidene-6-propylcycloocta-1,3,5-triene has a molecular weight of 186.30 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-1-methyl-7,8-dimethylidene-6-propylcycloocta-1,3,5-triene is sourced from PubChem (CID 163384527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).