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

C16H24O2 — CID 123793518

IUPAC(7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) acetate
SMILESCC(=O)OC1(C(C)C)C2CC3CC4C1CC4(C3)C2
InChIInChI=1S/C16H24O2/c1-9(2)16(18-10(3)17)12-4-11-5-13-14(16)8-15(13,6-11)7-12/h9,11-14H,4-8H2,1-3H3
InChIKeyVITMPQKMPSNYRA-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.40
Rot. Bonds2

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

(7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) acetate (PubChem CID 123793518) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) acetate.

Molecular Properties

Compound Name(7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) acetate
PubChem CID123793518
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) acetate
SMILESCC(=O)OC1(C(C)C)C2CC3CC4C1CC4(C3)C2
InChIInChI=1S/C16H24O2/c1-9(2)16(18-10(3)17)12-4-11-5-13-14(16)8-15(13,6-11)7-12/h9,11-14H,4-8H2,1-3H3
InChIKeyVITMPQKMPSNYRA-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.40
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) acetate?
The IUPAC name of (7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) acetate (CID 123793518) is (7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) acetate.
What is the SMILES notation for (7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) acetate?
The canonical SMILES for (7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) acetate is CC(=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) acetate?
The InChIKey is VITMPQKMPSNYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-9(2)16(18-10(3)17)12-4-11-5-13-14(16)8-15(13,6-11)7-12/h9,11-14H,4-8H2,1-3H3.
What are the key properties of (7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) acetate?
(7-propan-2-yl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) acetate has a molecular weight of 248.37 g/mol, XLogP of 3.40, 2 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) acetate is sourced from PubChem (CID 123793518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).