3,3-dimethyl-2-(3-methylbutoxy)pent-1-ene

C12H24O — CID 59986246

IUPAC3,3-dimethyl-2-(3-methylbutoxy)pent-1-ene
SMILESC=C(OCCC(C)C)C(C)(C)CC
InChIInChI=1S/C12H24O/c1-7-12(5,6)11(4)13-9-8-10(2)3/h10H,4,7-9H2,1-3,5-6H3
InChIKeyKFTBFLFSNVMYSK-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.00
Rot. Bonds6

About 3,3-dimethyl-2-(3-methylbutoxy)pent-1-ene

3,3-dimethyl-2-(3-methylbutoxy)pent-1-ene (PubChem CID 59986246) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3,3-dimethyl-2-(3-methylbutoxy)pent-1-ene.

Molecular Properties

Compound Name3,3-dimethyl-2-(3-methylbutoxy)pent-1-ene
PubChem CID59986246
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3,3-dimethyl-2-(3-methylbutoxy)pent-1-ene
SMILESC=C(OCCC(C)C)C(C)(C)CC
InChIInChI=1S/C12H24O/c1-7-12(5,6)11(4)13-9-8-10(2)3/h10H,4,7-9H2,1-3,5-6H3
InChIKeyKFTBFLFSNVMYSK-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(3-methylbutoxy)pent-1-ene?
The IUPAC name of 3,3-dimethyl-2-(3-methylbutoxy)pent-1-ene (CID 59986246) is 3,3-dimethyl-2-(3-methylbutoxy)pent-1-ene.
What is the SMILES notation for 3,3-dimethyl-2-(3-methylbutoxy)pent-1-ene?
The canonical SMILES for 3,3-dimethyl-2-(3-methylbutoxy)pent-1-ene is C=C(OCCC(C)C)C(C)(C)CC.
What is the InChIKey of 3,3-dimethyl-2-(3-methylbutoxy)pent-1-ene?
The InChIKey is KFTBFLFSNVMYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-7-12(5,6)11(4)13-9-8-10(2)3/h10H,4,7-9H2,1-3,5-6H3.
What are the key properties of 3,3-dimethyl-2-(3-methylbutoxy)pent-1-ene?
3,3-dimethyl-2-(3-methylbutoxy)pent-1-ene has a molecular weight of 184.32 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(3-methylbutoxy)pent-1-ene is sourced from PubChem (CID 59986246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).