2-[9-(2-hydroxyethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethanol

C18H28O2 — CID 71623579

IUPAC2-[9-(2-hydroxyethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethanol
SMILESOCCC12CC3C4CC5(CCO)CC3C(C1)C(C5)C4C2
InChIInChI=1S/C18H28O2/c19-3-1-17-5-11-14-8-18(2-4-20)9-15(11)13(7-17)16(10-18)12(14)6-17/h11-16,19-20H,1-10H2
InChIKeyWWIOGMSTIPQWCG-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.83
Rot. Bonds4

About 2-[9-(2-hydroxyethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethanol

2-[9-(2-hydroxyethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethanol (PubChem CID 71623579) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[9-(2-hydroxyethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethanol.

Molecular Properties

Compound Name2-[9-(2-hydroxyethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethanol
PubChem CID71623579
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name2-[9-(2-hydroxyethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethanol
SMILESOCCC12CC3C4CC5(CCO)CC3C(C1)C(C5)C4C2
InChIInChI=1S/C18H28O2/c19-3-1-17-5-11-14-8-18(2-4-20)9-15(11)13(7-17)16(10-18)12(14)6-17/h11-16,19-20H,1-10H2
InChIKeyWWIOGMSTIPQWCG-UHFFFAOYSA-N
XLogP2.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(2-hydroxyethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethanol?
The IUPAC name of 2-[9-(2-hydroxyethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethanol (CID 71623579) is 2-[9-(2-hydroxyethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethanol.
What is the SMILES notation for 2-[9-(2-hydroxyethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethanol?
The canonical SMILES for 2-[9-(2-hydroxyethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethanol is OCCC12CC3C4CC5(CCO)CC3C(C1)C(C5)C4C2.
What is the InChIKey of 2-[9-(2-hydroxyethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethanol?
The InChIKey is WWIOGMSTIPQWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c19-3-1-17-5-11-14-8-18(2-4-20)9-15(11)13(7-17)16(10-18)12(14)6-17/h11-16,19-20H,1-10H2.
What are the key properties of 2-[9-(2-hydroxyethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethanol?
2-[9-(2-hydroxyethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethanol has a molecular weight of 276.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(2-hydroxyethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethanol is sourced from PubChem (CID 71623579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).