(Z)-2,5,7-trimethyl-6-propan-2-yloxyoct-3-ene

C14H28O — CID 58961178

IUPAC(Z)-2,5,7-trimethyl-6-propan-2-yloxyoct-3-ene
SMILESCC(C)/C=C\C(C)C(OC(C)C)C(C)C
InChIInChI=1S/C14H28O/c1-10(2)8-9-13(7)14(11(3)4)15-12(5)6/h8-14H,1-7H3/b9-8-
InChIKeyGIXZRKZXPSJKOU-HJWRWDBZSA-N
MW212.38 g/mol
LogP4.28
Rot. Bonds6

About (Z)-2,5,7-trimethyl-6-propan-2-yloxyoct-3-ene

(Z)-2,5,7-trimethyl-6-propan-2-yloxyoct-3-ene (PubChem CID 58961178) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is (Z)-2,5,7-trimethyl-6-propan-2-yloxyoct-3-ene.

Molecular Properties

Compound Name(Z)-2,5,7-trimethyl-6-propan-2-yloxyoct-3-ene
PubChem CID58961178
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name(Z)-2,5,7-trimethyl-6-propan-2-yloxyoct-3-ene
SMILESCC(C)/C=C\C(C)C(OC(C)C)C(C)C
InChIInChI=1S/C14H28O/c1-10(2)8-9-13(7)14(11(3)4)15-12(5)6/h8-14H,1-7H3/b9-8-
InChIKeyGIXZRKZXPSJKOU-HJWRWDBZSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.28
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 (Z)-2,5,7-trimethyl-6-propan-2-yloxyoct-3-ene?
The IUPAC name of (Z)-2,5,7-trimethyl-6-propan-2-yloxyoct-3-ene (CID 58961178) is (Z)-2,5,7-trimethyl-6-propan-2-yloxyoct-3-ene.
What is the SMILES notation for (Z)-2,5,7-trimethyl-6-propan-2-yloxyoct-3-ene?
The canonical SMILES for (Z)-2,5,7-trimethyl-6-propan-2-yloxyoct-3-ene is CC(C)/C=C\C(C)C(OC(C)C)C(C)C.
What is the InChIKey of (Z)-2,5,7-trimethyl-6-propan-2-yloxyoct-3-ene?
The InChIKey is GIXZRKZXPSJKOU-HJWRWDBZSA-N. The full InChI is InChI=1S/C14H28O/c1-10(2)8-9-13(7)14(11(3)4)15-12(5)6/h8-14H,1-7H3/b9-8-.
What are the key properties of (Z)-2,5,7-trimethyl-6-propan-2-yloxyoct-3-ene?
(Z)-2,5,7-trimethyl-6-propan-2-yloxyoct-3-ene has a molecular weight of 212.38 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,5,7-trimethyl-6-propan-2-yloxyoct-3-ene is sourced from PubChem (CID 58961178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).