but-3-enylcyclohexane;carbonic acid

C11H20O3 — CID 70349609

IUPACbut-3-enylcyclohexane;carbonic acid
SMILESC=CCCC1CCCCC1.O=C(O)O
InChIInChI=1S/C10H18.CH2O3/c1-2-3-7-10-8-5-4-6-9-10;2-1(3)4/h2,10H,1,3-9H2;(H2,2,3,4)
InChIKeyKYUFGSZBOFRYKE-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.76
Rot. Bonds3

About but-3-enylcyclohexane;carbonic acid

but-3-enylcyclohexane;carbonic acid (PubChem CID 70349609) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is but-3-enylcyclohexane;carbonic acid.

Molecular Properties

Compound Namebut-3-enylcyclohexane;carbonic acid
PubChem CID70349609
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namebut-3-enylcyclohexane;carbonic acid
SMILESC=CCCC1CCCCC1.O=C(O)O
InChIInChI=1S/C10H18.CH2O3/c1-2-3-7-10-8-5-4-6-9-10;2-1(3)4/h2,10H,1,3-9H2;(H2,2,3,4)
InChIKeyKYUFGSZBOFRYKE-UHFFFAOYSA-N
XLogP3.76
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.76
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 but-3-enylcyclohexane;carbonic acid?
The IUPAC name of but-3-enylcyclohexane;carbonic acid (CID 70349609) is but-3-enylcyclohexane;carbonic acid.
What is the SMILES notation for but-3-enylcyclohexane;carbonic acid?
The canonical SMILES for but-3-enylcyclohexane;carbonic acid is C=CCCC1CCCCC1.O=C(O)O.
What is the InChIKey of but-3-enylcyclohexane;carbonic acid?
The InChIKey is KYUFGSZBOFRYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.CH2O3/c1-2-3-7-10-8-5-4-6-9-10;2-1(3)4/h2,10H,1,3-9H2;(H2,2,3,4).
What are the key properties of but-3-enylcyclohexane;carbonic acid?
but-3-enylcyclohexane;carbonic acid has a molecular weight of 200.28 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enylcyclohexane;carbonic acid is sourced from PubChem (CID 70349609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).