[9-(hydroxymethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]methanol

C16H24O2 — CID 102341460

IUPAC[9-(hydroxymethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]methanol
SMILESOCC12CC3C4CC5(CO)CC3C(C1)C(C5)C4C2
InChIInChI=1S/C16H24O2/c17-7-15-1-9-10-4-16(8-18)5-11(9)13(3-15)14(6-16)12(10)2-15/h9-14,17-18H,1-8H2
InChIKeySXFDFDACJMVYCB-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.05
Rot. Bonds2

About [9-(hydroxymethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]methanol

[9-(hydroxymethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]methanol (PubChem CID 102341460) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is [9-(hydroxymethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]methanol.

Molecular Properties

Compound Name[9-(hydroxymethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]methanol
PubChem CID102341460
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name[9-(hydroxymethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]methanol
SMILESOCC12CC3C4CC5(CO)CC3C(C1)C(C5)C4C2
InChIInChI=1S/C16H24O2/c17-7-15-1-9-10-4-16(8-18)5-11(9)13(3-15)14(6-16)12(10)2-15/h9-14,17-18H,1-8H2
InChIKeySXFDFDACJMVYCB-UHFFFAOYSA-N
XLogP2.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [9-(hydroxymethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]methanol?
The IUPAC name of [9-(hydroxymethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]methanol (CID 102341460) is [9-(hydroxymethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]methanol.
What is the SMILES notation for [9-(hydroxymethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]methanol?
The canonical SMILES for [9-(hydroxymethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]methanol is OCC12CC3C4CC5(CO)CC3C(C1)C(C5)C4C2.
What is the InChIKey of [9-(hydroxymethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]methanol?
The InChIKey is SXFDFDACJMVYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c17-7-15-1-9-10-4-16(8-18)5-11(9)13(3-15)14(6-16)12(10)2-15/h9-14,17-18H,1-8H2.
What are the key properties of [9-(hydroxymethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]methanol?
[9-(hydroxymethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]methanol has a molecular weight of 248.37 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(hydroxymethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]methanol is sourced from PubChem (CID 102341460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).