(7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) propanoate

C17H26O2 — CID 123541695

IUPAC(7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) propanoate
SMILESCCC(=O)OC1(C(C)C)C2CC3CC4C1CC4(C3)C2
InChIInChI=1S/C17H26O2/c1-4-15(18)19-17(10(2)3)12-5-11-6-13-14(17)9-16(13,7-11)8-12/h10-14H,4-9H2,1-3H3
InChIKeyRUVOKLNVRJZRAB-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.79
Rot. Bonds3

About (7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) propanoate

(7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) propanoate (PubChem CID 123541695) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) propanoate.

Molecular Properties

Compound Name(7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) propanoate
PubChem CID123541695
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) propanoate
SMILESCCC(=O)OC1(C(C)C)C2CC3CC4C1CC4(C3)C2
InChIInChI=1S/C17H26O2/c1-4-15(18)19-17(10(2)3)12-5-11-6-13-14(17)9-16(13,7-11)8-12/h10-14H,4-9H2,1-3H3
InChIKeyRUVOKLNVRJZRAB-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) propanoate?
The IUPAC name of (7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) propanoate (CID 123541695) is (7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) propanoate.
What is the SMILES notation for (7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) propanoate?
The canonical SMILES for (7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) propanoate is CCC(=O)OC1(C(C)C)C2CC3CC4C1CC4(C3)C2.
What is the InChIKey of (7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) propanoate?
The InChIKey is RUVOKLNVRJZRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-4-15(18)19-17(10(2)3)12-5-11-6-13-14(17)9-16(13,7-11)8-12/h10-14H,4-9H2,1-3H3.
What are the key properties of (7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) propanoate?
(7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) propanoate has a molecular weight of 262.39 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) propanoate is sourced from PubChem (CID 123541695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).