2,6,8-trihydroxynonan-4-yl N-(cyclopentylmethyl)carbamate

C16H31NO5 — CID 59928754

IUPAC2,6,8-trihydroxynonan-4-yl N-(cyclopentylmethyl)carbamate
SMILESCC(O)CC(O)CC(CC(C)O)OC(=O)NCC1CCCC1
InChIInChI=1S/C16H31NO5/c1-11(18)7-14(20)9-15(8-12(2)19)22-16(21)17-10-13-5-3-4-6-13/h11-15,18-20H,3-10H2,1-2H3,(H,17,21)
InChIKeyWBFAUCSBTARWDX-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.56
Rot. Bonds9

About 2,6,8-trihydroxynonan-4-yl N-(cyclopentylmethyl)carbamate

2,6,8-trihydroxynonan-4-yl N-(cyclopentylmethyl)carbamate (PubChem CID 59928754) has the molecular formula C16H31NO5 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2,6,8-trihydroxynonan-4-yl N-(cyclopentylmethyl)carbamate.

Molecular Properties

Compound Name2,6,8-trihydroxynonan-4-yl N-(cyclopentylmethyl)carbamate
PubChem CID59928754
Molecular FormulaC16H31NO5
Molecular Weight317.43 g/mol
Exact Mass317.22
IUPAC Name2,6,8-trihydroxynonan-4-yl N-(cyclopentylmethyl)carbamate
SMILESCC(O)CC(O)CC(CC(C)O)OC(=O)NCC1CCCC1
InChIInChI=1S/C16H31NO5/c1-11(18)7-14(20)9-15(8-12(2)19)22-16(21)17-10-13-5-3-4-6-13/h11-15,18-20H,3-10H2,1-2H3,(H,17,21)
InChIKeyWBFAUCSBTARWDX-UHFFFAOYSA-N
XLogP1.56
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

[cyclohexyl(cyclohexylmethylcarbamoyloxy)methyl] 2-methylpropanoate
CID 68568734
[1-(cyclohexylmethylcarbamoyloxy)-2-methylpropyl] cyclohexanecarboxylate
CID 68568677
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
1-(cyclopentylmethyl)-3-propan-2-ylurea
CID 84521639
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
ethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen
CID 144717784
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
CID 119299452
acetic acid;1-(cyclohexylmethylcarbamoyloxy)propyl acetate
CID 68798909
1-(cyclohexylmethylcarbamoyloxy)propyl butanoate
CID 68569190
acetic acid;2-(cyclohexylmethylcarbamoyloxy)propan-2-yl 2-methylpropanoate
CID 69176752
propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate
CID 116655183

Frequently Asked Questions

What is the IUPAC name of 2,6,8-trihydroxynonan-4-yl N-(cyclopentylmethyl)carbamate?
The IUPAC name of 2,6,8-trihydroxynonan-4-yl N-(cyclopentylmethyl)carbamate (CID 59928754) is 2,6,8-trihydroxynonan-4-yl N-(cyclopentylmethyl)carbamate.
What is the SMILES notation for 2,6,8-trihydroxynonan-4-yl N-(cyclopentylmethyl)carbamate?
The canonical SMILES for 2,6,8-trihydroxynonan-4-yl N-(cyclopentylmethyl)carbamate is CC(O)CC(O)CC(CC(C)O)OC(=O)NCC1CCCC1.
What is the InChIKey of 2,6,8-trihydroxynonan-4-yl N-(cyclopentylmethyl)carbamate?
The InChIKey is WBFAUCSBTARWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO5/c1-11(18)7-14(20)9-15(8-12(2)19)22-16(21)17-10-13-5-3-4-6-13/h11-15,18-20H,3-10H2,1-2H3,(H,17,21).
What are the key properties of 2,6,8-trihydroxynonan-4-yl N-(cyclopentylmethyl)carbamate?
2,6,8-trihydroxynonan-4-yl N-(cyclopentylmethyl)carbamate has a molecular weight of 317.43 g/mol, XLogP of 1.56, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8-trihydroxynonan-4-yl N-(cyclopentylmethyl)carbamate is sourced from PubChem (CID 59928754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).