2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene

C14H26 — CID 123481646

IUPAC2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene
SMILESC=C(C)C(CC(C)=CC(C)C)C(C)C
InChIInChI=1S/C14H26/c1-10(2)8-13(7)9-14(11(3)4)12(5)6/h8,10,12,14H,3,9H2,1-2,4-7H3
InChIKeyYKWTVQSOKZGCJC-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.83
Rot. Bonds5

About 2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene

2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene (PubChem CID 123481646) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene.

Molecular Properties

Compound Name2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene
PubChem CID123481646
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene
SMILESC=C(C)C(CC(C)=CC(C)C)C(C)C
InChIInChI=1S/C14H26/c1-10(2)8-13(7)9-14(11(3)4)12(5)6/h8,10,12,14H,3,9H2,1-2,4-7H3
InChIKeyYKWTVQSOKZGCJC-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene?
The IUPAC name of 2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene (CID 123481646) is 2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene.
What is the SMILES notation for 2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene?
The canonical SMILES for 2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene is C=C(C)C(CC(C)=CC(C)C)C(C)C.
What is the InChIKey of 2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene?
The InChIKey is YKWTVQSOKZGCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-10(2)8-13(7)9-14(11(3)4)12(5)6/h8,10,12,14H,3,9H2,1-2,4-7H3.
What are the key properties of 2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene?
2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene has a molecular weight of 194.36 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene is sourced from PubChem (CID 123481646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).