4-methyl-5-(3-methylhex-5-en-2-yloxy)hex-1-ene

C14H26O — CID 175172646

IUPAC4-methyl-5-(3-methylhex-5-en-2-yloxy)hex-1-ene
SMILESC=CCC(C)C(C)OC(C)C(C)CC=C
InChIInChI=1S/C14H26O/c1-7-9-11(3)13(5)15-14(6)12(4)10-8-2/h7-8,11-14H,1-2,9-10H2,3-6H3
InChIKeyVGXWHIBRKSYMTB-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.20
Rot. Bonds8

About 4-methyl-5-(3-methylhex-5-en-2-yloxy)hex-1-ene

4-methyl-5-(3-methylhex-5-en-2-yloxy)hex-1-ene (PubChem CID 175172646) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-methyl-5-(3-methylhex-5-en-2-yloxy)hex-1-ene.

Molecular Properties

Compound Name4-methyl-5-(3-methylhex-5-en-2-yloxy)hex-1-ene
PubChem CID175172646
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name4-methyl-5-(3-methylhex-5-en-2-yloxy)hex-1-ene
SMILESC=CCC(C)C(C)OC(C)C(C)CC=C
InChIInChI=1S/C14H26O/c1-7-9-11(3)13(5)15-14(6)12(4)10-8-2/h7-8,11-14H,1-2,9-10H2,3-6H3
InChIKeyVGXWHIBRKSYMTB-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.20
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 4-methyl-5-(3-methylhex-5-en-2-yloxy)hex-1-ene?
The IUPAC name of 4-methyl-5-(3-methylhex-5-en-2-yloxy)hex-1-ene (CID 175172646) is 4-methyl-5-(3-methylhex-5-en-2-yloxy)hex-1-ene.
What is the SMILES notation for 4-methyl-5-(3-methylhex-5-en-2-yloxy)hex-1-ene?
The canonical SMILES for 4-methyl-5-(3-methylhex-5-en-2-yloxy)hex-1-ene is C=CCC(C)C(C)OC(C)C(C)CC=C.
What is the InChIKey of 4-methyl-5-(3-methylhex-5-en-2-yloxy)hex-1-ene?
The InChIKey is VGXWHIBRKSYMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-7-9-11(3)13(5)15-14(6)12(4)10-8-2/h7-8,11-14H,1-2,9-10H2,3-6H3.
What are the key properties of 4-methyl-5-(3-methylhex-5-en-2-yloxy)hex-1-ene?
4-methyl-5-(3-methylhex-5-en-2-yloxy)hex-1-ene has a molecular weight of 210.36 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-methylhex-5-en-2-yloxy)hex-1-ene is sourced from PubChem (CID 175172646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).