3,3-dimethyl-1-[(Z)-pent-2-enoxy]pentane

C12H24O — CID 89382172

IUPAC3,3-dimethyl-1-[(Z)-pent-2-enoxy]pentane
SMILESCC/C=C\COCCC(C)(C)CC
InChIInChI=1S/C12H24O/c1-5-7-8-10-13-11-9-12(3,4)6-2/h7-8H,5-6,9-11H2,1-4H3/b8-7-
InChIKeyBTTLITFIMPCUCU-FPLPWBNLSA-N
MW184.32 g/mol
LogP3.80
Rot. Bonds7

About 3,3-dimethyl-1-[(Z)-pent-2-enoxy]pentane

3,3-dimethyl-1-[(Z)-pent-2-enoxy]pentane (PubChem CID 89382172) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(Z)-pent-2-enoxy]pentane.

Molecular Properties

Compound Name3,3-dimethyl-1-[(Z)-pent-2-enoxy]pentane
PubChem CID89382172
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3,3-dimethyl-1-[(Z)-pent-2-enoxy]pentane
SMILESCC/C=C\COCCC(C)(C)CC
InChIInChI=1S/C12H24O/c1-5-7-8-10-13-11-9-12(3,4)6-2/h7-8H,5-6,9-11H2,1-4H3/b8-7-
InChIKeyBTTLITFIMPCUCU-FPLPWBNLSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(Z)-pent-2-enoxy]pentane?
The IUPAC name of 3,3-dimethyl-1-[(Z)-pent-2-enoxy]pentane (CID 89382172) is 3,3-dimethyl-1-[(Z)-pent-2-enoxy]pentane.
What is the SMILES notation for 3,3-dimethyl-1-[(Z)-pent-2-enoxy]pentane?
The canonical SMILES for 3,3-dimethyl-1-[(Z)-pent-2-enoxy]pentane is CC/C=C\COCCC(C)(C)CC.
What is the InChIKey of 3,3-dimethyl-1-[(Z)-pent-2-enoxy]pentane?
The InChIKey is BTTLITFIMPCUCU-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H24O/c1-5-7-8-10-13-11-9-12(3,4)6-2/h7-8H,5-6,9-11H2,1-4H3/b8-7-.
What are the key properties of 3,3-dimethyl-1-[(Z)-pent-2-enoxy]pentane?
3,3-dimethyl-1-[(Z)-pent-2-enoxy]pentane has a molecular weight of 184.32 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(Z)-pent-2-enoxy]pentane is sourced from PubChem (CID 89382172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).