2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propan-1-ol

C14H24O2 — CID 59602204

IUPAC2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propan-1-ol
SMILESCC(C)C(O)OC1CC2CC1C1CCCC21
InChIInChI=1S/C14H24O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h8-15H,3-7H2,1-2H3
InChIKeyHKEKPNAWJQDEND-UHFFFAOYSA-N
MW224.34 g/mol
LogP2.80
Rot. Bonds3

About 2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propan-1-ol

2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propan-1-ol (PubChem CID 59602204) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propan-1-ol
PubChem CID59602204
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propan-1-ol
SMILESCC(C)C(O)OC1CC2CC1C1CCCC21
InChIInChI=1S/C14H24O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h8-15H,3-7H2,1-2H3
InChIKeyHKEKPNAWJQDEND-UHFFFAOYSA-N
XLogP2.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propan-1-ol?
The IUPAC name of 2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propan-1-ol (CID 59602204) is 2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propan-1-ol.
What is the SMILES notation for 2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propan-1-ol?
The canonical SMILES for 2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propan-1-ol is CC(C)C(O)OC1CC2CC1C1CCCC21.
What is the InChIKey of 2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propan-1-ol?
The InChIKey is HKEKPNAWJQDEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h8-15H,3-7H2,1-2H3.
What are the key properties of 2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propan-1-ol?
2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propan-1-ol has a molecular weight of 224.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propan-1-ol is sourced from PubChem (CID 59602204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).