carbonic acid;4-methylpent-1-ene

C7H14O3 — CID 158555652

IUPACcarbonic acid;4-methylpent-1-ene
SMILESC=CCC(C)C.O=C(O)O
InChIInChI=1S/C6H12.CH2O3/c1-4-5-6(2)3;2-1(3)4/h4,6H,1,5H2,2-3H3;(H2,2,3,4)
InChIKeyHQGKLPJAVLYGPF-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.44
Rot. Bonds2

About carbonic acid;4-methylpent-1-ene

carbonic acid;4-methylpent-1-ene (PubChem CID 158555652) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is carbonic acid;4-methylpent-1-ene.

Molecular Properties

Compound Namecarbonic acid;4-methylpent-1-ene
PubChem CID158555652
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Namecarbonic acid;4-methylpent-1-ene
SMILESC=CCC(C)C.O=C(O)O
InChIInChI=1S/C6H12.CH2O3/c1-4-5-6(2)3;2-1(3)4/h4,6H,1,5H2,2-3H3;(H2,2,3,4)
InChIKeyHQGKLPJAVLYGPF-UHFFFAOYSA-N
XLogP2.44
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.44
H-Bond Donors ≤ 52
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 carbonic acid;4-methylpent-1-ene?
The IUPAC name of carbonic acid;4-methylpent-1-ene (CID 158555652) is carbonic acid;4-methylpent-1-ene.
What is the SMILES notation for carbonic acid;4-methylpent-1-ene?
The canonical SMILES for carbonic acid;4-methylpent-1-ene is C=CCC(C)C.O=C(O)O.
What is the InChIKey of carbonic acid;4-methylpent-1-ene?
The InChIKey is HQGKLPJAVLYGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.CH2O3/c1-4-5-6(2)3;2-1(3)4/h4,6H,1,5H2,2-3H3;(H2,2,3,4).
What are the key properties of carbonic acid;4-methylpent-1-ene?
carbonic acid;4-methylpent-1-ene has a molecular weight of 146.19 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;4-methylpent-1-ene is sourced from PubChem (CID 158555652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).