(7-methyl-4-propan-2-yl-4-tricyclo[3.3.1.11,3]decanyl) 2-methylpropanoate

C18H30O2 — CID 90747151

IUPAC(7-methyl-4-propan-2-yl-4-tricyclo[3.3.1.11,3]decanyl) 2-methylpropanoate
SMILESCC1CC2CC3(C1)CC(C3)C2(OC(=O)C(C)C)C(C)C
InChIInChI=1S/C18H30O2/c1-11(2)16(19)20-18(12(3)4)14-6-13(5)7-17(8-14)9-15(18)10-17/h11-15H,6-10H2,1-5H3
InChIKeyQSSHUSNOXVHINA-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.43
Rot. Bonds3

About (7-methyl-4-propan-2-yl-4-tricyclo[3.3.1.11,3]decanyl) 2-methylpropanoate

(7-methyl-4-propan-2-yl-4-tricyclo[3.3.1.11,3]decanyl) 2-methylpropanoate (PubChem CID 90747151) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (7-methyl-4-propan-2-yl-4-tricyclo[3.3.1.11,3]decanyl) 2-methylpropanoate.

Molecular Properties

Compound Name(7-methyl-4-propan-2-yl-4-tricyclo[3.3.1.11,3]decanyl) 2-methylpropanoate
PubChem CID90747151
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(7-methyl-4-propan-2-yl-4-tricyclo[3.3.1.11,3]decanyl) 2-methylpropanoate
SMILESCC1CC2CC3(C1)CC(C3)C2(OC(=O)C(C)C)C(C)C
InChIInChI=1S/C18H30O2/c1-11(2)16(19)20-18(12(3)4)14-6-13(5)7-17(8-14)9-15(18)10-17/h11-15H,6-10H2,1-5H3
InChIKeyQSSHUSNOXVHINA-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-propan-2-yl-4-tricyclo[3.3.1.11,3]decanyl) 2-methylpropanoate?
The IUPAC name of (7-methyl-4-propan-2-yl-4-tricyclo[3.3.1.11,3]decanyl) 2-methylpropanoate (CID 90747151) is (7-methyl-4-propan-2-yl-4-tricyclo[3.3.1.11,3]decanyl) 2-methylpropanoate.
What is the SMILES notation for (7-methyl-4-propan-2-yl-4-tricyclo[3.3.1.11,3]decanyl) 2-methylpropanoate?
The canonical SMILES for (7-methyl-4-propan-2-yl-4-tricyclo[3.3.1.11,3]decanyl) 2-methylpropanoate is CC1CC2CC3(C1)CC(C3)C2(OC(=O)C(C)C)C(C)C.
What is the InChIKey of (7-methyl-4-propan-2-yl-4-tricyclo[3.3.1.11,3]decanyl) 2-methylpropanoate?
The InChIKey is QSSHUSNOXVHINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-11(2)16(19)20-18(12(3)4)14-6-13(5)7-17(8-14)9-15(18)10-17/h11-15H,6-10H2,1-5H3.
What are the key properties of (7-methyl-4-propan-2-yl-4-tricyclo[3.3.1.11,3]decanyl) 2-methylpropanoate?
(7-methyl-4-propan-2-yl-4-tricyclo[3.3.1.11,3]decanyl) 2-methylpropanoate has a molecular weight of 278.44 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-propan-2-yl-4-tricyclo[3.3.1.11,3]decanyl) 2-methylpropanoate is sourced from PubChem (CID 90747151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).