2,4-dimethyl-4-(8-tricyclo[5.2.1.02,6]decanyl)pent-2-enoic acid

C17H26O2 — CID 66772616

IUPAC2,4-dimethyl-4-(8-tricyclo[5.2.1.02,6]decanyl)pent-2-enoic acid
SMILESCC(=CC(C)(C)C1CC2CC1C1CCCC21)C(=O)O
InChIInChI=1S/C17H26O2/c1-10(16(18)19)9-17(2,3)15-8-11-7-14(15)13-6-4-5-12(11)13/h9,11-15H,4-8H2,1-3H3,(H,18,19)
InChIKeyICINVUMQZPBDAP-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.12
Rot. Bonds3

About 2,4-dimethyl-4-(8-tricyclo[5.2.1.02,6]decanyl)pent-2-enoic acid

2,4-dimethyl-4-(8-tricyclo[5.2.1.02,6]decanyl)pent-2-enoic acid (PubChem CID 66772616) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2,4-dimethyl-4-(8-tricyclo[5.2.1.02,6]decanyl)pent-2-enoic acid.

Molecular Properties

Compound Name2,4-dimethyl-4-(8-tricyclo[5.2.1.02,6]decanyl)pent-2-enoic acid
PubChem CID66772616
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2,4-dimethyl-4-(8-tricyclo[5.2.1.02,6]decanyl)pent-2-enoic acid
SMILESCC(=CC(C)(C)C1CC2CC1C1CCCC21)C(=O)O
InChIInChI=1S/C17H26O2/c1-10(16(18)19)9-17(2,3)15-8-11-7-14(15)13-6-4-5-12(11)13/h9,11-15H,4-8H2,1-3H3,(H,18,19)
InChIKeyICINVUMQZPBDAP-UHFFFAOYSA-N
XLogP4.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4-(8-tricyclo[5.2.1.02,6]decanyl)pent-2-enoic acid?
The IUPAC name of 2,4-dimethyl-4-(8-tricyclo[5.2.1.02,6]decanyl)pent-2-enoic acid (CID 66772616) is 2,4-dimethyl-4-(8-tricyclo[5.2.1.02,6]decanyl)pent-2-enoic acid.
What is the SMILES notation for 2,4-dimethyl-4-(8-tricyclo[5.2.1.02,6]decanyl)pent-2-enoic acid?
The canonical SMILES for 2,4-dimethyl-4-(8-tricyclo[5.2.1.02,6]decanyl)pent-2-enoic acid is CC(=CC(C)(C)C1CC2CC1C1CCCC21)C(=O)O.
What is the InChIKey of 2,4-dimethyl-4-(8-tricyclo[5.2.1.02,6]decanyl)pent-2-enoic acid?
The InChIKey is ICINVUMQZPBDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-10(16(18)19)9-17(2,3)15-8-11-7-14(15)13-6-4-5-12(11)13/h9,11-15H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 2,4-dimethyl-4-(8-tricyclo[5.2.1.02,6]decanyl)pent-2-enoic acid?
2,4-dimethyl-4-(8-tricyclo[5.2.1.02,6]decanyl)pent-2-enoic acid has a molecular weight of 262.39 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-(8-tricyclo[5.2.1.02,6]decanyl)pent-2-enoic acid is sourced from PubChem (CID 66772616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).