2-[4-(2-hydroxyethyl)-11-pentacyclo[6.5.1.13,6.02,7.09,13]pentadecanyl]ethanol

C19H30O2 — CID 126608083

IUPAC2-[4-(2-hydroxyethyl)-11-pentacyclo[6.5.1.13,6.02,7.09,13]pentadecanyl]ethanol
SMILESOCCC1CC2C(C1)C1CC2C2C3CC(CCO)C(C3)C12
InChIInChI=1S/C19H30O2/c20-3-1-10-5-14-15(6-10)17-9-16(14)18-12-7-11(2-4-21)13(8-12)19(17)18/h10-21H,1-9H2
InChIKeyCCQAORQBWWFSIP-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.93
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)-11-pentacyclo[6.5.1.13,6.02,7.09,13]pentadecanyl]ethanol

2-[4-(2-hydroxyethyl)-11-pentacyclo[6.5.1.13,6.02,7.09,13]pentadecanyl]ethanol (PubChem CID 126608083) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)-11-pentacyclo[6.5.1.13,6.02,7.09,13]pentadecanyl]ethanol.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)-11-pentacyclo[6.5.1.13,6.02,7.09,13]pentadecanyl]ethanol
PubChem CID126608083
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name2-[4-(2-hydroxyethyl)-11-pentacyclo[6.5.1.13,6.02,7.09,13]pentadecanyl]ethanol
SMILESOCCC1CC2C(C1)C1CC2C2C3CC(CCO)C(C3)C12
InChIInChI=1S/C19H30O2/c20-3-1-10-5-14-15(6-10)17-9-16(14)18-12-7-11(2-4-21)13(8-12)19(17)18/h10-21H,1-9H2
InChIKeyCCQAORQBWWFSIP-UHFFFAOYSA-N
XLogP2.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)-11-pentacyclo[6.5.1.13,6.02,7.09,13]pentadecanyl]ethanol?
The IUPAC name of 2-[4-(2-hydroxyethyl)-11-pentacyclo[6.5.1.13,6.02,7.09,13]pentadecanyl]ethanol (CID 126608083) is 2-[4-(2-hydroxyethyl)-11-pentacyclo[6.5.1.13,6.02,7.09,13]pentadecanyl]ethanol.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)-11-pentacyclo[6.5.1.13,6.02,7.09,13]pentadecanyl]ethanol?
The canonical SMILES for 2-[4-(2-hydroxyethyl)-11-pentacyclo[6.5.1.13,6.02,7.09,13]pentadecanyl]ethanol is OCCC1CC2C(C1)C1CC2C2C3CC(CCO)C(C3)C12.
What is the InChIKey of 2-[4-(2-hydroxyethyl)-11-pentacyclo[6.5.1.13,6.02,7.09,13]pentadecanyl]ethanol?
The InChIKey is CCQAORQBWWFSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c20-3-1-10-5-14-15(6-10)17-9-16(14)18-12-7-11(2-4-21)13(8-12)19(17)18/h10-21H,1-9H2.
What are the key properties of 2-[4-(2-hydroxyethyl)-11-pentacyclo[6.5.1.13,6.02,7.09,13]pentadecanyl]ethanol?
2-[4-(2-hydroxyethyl)-11-pentacyclo[6.5.1.13,6.02,7.09,13]pentadecanyl]ethanol has a molecular weight of 290.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)-11-pentacyclo[6.5.1.13,6.02,7.09,13]pentadecanyl]ethanol is sourced from PubChem (CID 126608083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).