(E)-2,7,7-trimethyl-8-propan-2-yloxyoct-3-ene

C14H28O — CID 89254940

IUPAC(E)-2,7,7-trimethyl-8-propan-2-yloxyoct-3-ene
SMILESCC(C)/C=C/CCC(C)(C)COC(C)C
InChIInChI=1S/C14H28O/c1-12(2)9-7-8-10-14(5,6)11-15-13(3)4/h7,9,12-13H,8,10-11H2,1-6H3/b9-7+
InChIKeyRIPUNRNHOOIZGW-VQHVLOKHSA-N
MW212.38 g/mol
LogP4.43
Rot. Bonds7

About (E)-2,7,7-trimethyl-8-propan-2-yloxyoct-3-ene

(E)-2,7,7-trimethyl-8-propan-2-yloxyoct-3-ene (PubChem CID 89254940) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is (E)-2,7,7-trimethyl-8-propan-2-yloxyoct-3-ene.

Molecular Properties

Compound Name(E)-2,7,7-trimethyl-8-propan-2-yloxyoct-3-ene
PubChem CID89254940
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name(E)-2,7,7-trimethyl-8-propan-2-yloxyoct-3-ene
SMILESCC(C)/C=C/CCC(C)(C)COC(C)C
InChIInChI=1S/C14H28O/c1-12(2)9-7-8-10-14(5,6)11-15-13(3)4/h7,9,12-13H,8,10-11H2,1-6H3/b9-7+
InChIKeyRIPUNRNHOOIZGW-VQHVLOKHSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.43
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 (E)-2,7,7-trimethyl-8-propan-2-yloxyoct-3-ene?
The IUPAC name of (E)-2,7,7-trimethyl-8-propan-2-yloxyoct-3-ene (CID 89254940) is (E)-2,7,7-trimethyl-8-propan-2-yloxyoct-3-ene.
What is the SMILES notation for (E)-2,7,7-trimethyl-8-propan-2-yloxyoct-3-ene?
The canonical SMILES for (E)-2,7,7-trimethyl-8-propan-2-yloxyoct-3-ene is CC(C)/C=C/CCC(C)(C)COC(C)C.
What is the InChIKey of (E)-2,7,7-trimethyl-8-propan-2-yloxyoct-3-ene?
The InChIKey is RIPUNRNHOOIZGW-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H28O/c1-12(2)9-7-8-10-14(5,6)11-15-13(3)4/h7,9,12-13H,8,10-11H2,1-6H3/b9-7+.
What are the key properties of (E)-2,7,7-trimethyl-8-propan-2-yloxyoct-3-ene?
(E)-2,7,7-trimethyl-8-propan-2-yloxyoct-3-ene has a molecular weight of 212.38 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,7,7-trimethyl-8-propan-2-yloxyoct-3-ene is sourced from PubChem (CID 89254940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).