(8-propan-2-yloxycyclooct-2-en-1-yl) carbamate

C12H21NO3 — CID 163799221

IUPAC(8-propan-2-yloxycyclooct-2-en-1-yl) carbamate
SMILESCC(C)OC1CCCCC=CC1OC(N)=O
InChIInChI=1S/C12H21NO3/c1-9(2)15-10-7-5-3-4-6-8-11(10)16-12(13)14/h6,8-11H,3-5,7H2,1-2H3,(H2,13,14)
InChIKeyNDNSOQXCJOMORA-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.37
Rot. Bonds3

About (8-propan-2-yloxycyclooct-2-en-1-yl) carbamate

(8-propan-2-yloxycyclooct-2-en-1-yl) carbamate (PubChem CID 163799221) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (8-propan-2-yloxycyclooct-2-en-1-yl) carbamate.

Molecular Properties

Compound Name(8-propan-2-yloxycyclooct-2-en-1-yl) carbamate
PubChem CID163799221
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(8-propan-2-yloxycyclooct-2-en-1-yl) carbamate
SMILESCC(C)OC1CCCCC=CC1OC(N)=O
InChIInChI=1S/C12H21NO3/c1-9(2)15-10-7-5-3-4-6-8-11(10)16-12(13)14/h6,8-11H,3-5,7H2,1-2H3,(H2,13,14)
InChIKeyNDNSOQXCJOMORA-UHFFFAOYSA-N
XLogP2.37
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-methylcyclohex-2-en-1-yl) carbamate
CID 174949561
[(2E)-8-methylcyclooct-2-en-1-yl] acetate
CID 159103280
[(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate
CID 14932680
(2-methylcyclohexyl) carbamate
CID 45090963
[(1S,2S)-2-acetyloxycyclohex-3-en-1-yl] acetate
CID 11344622
[(1S,2R)-2-acetyloxycyclohex-3-en-1-yl] acetate
CID 12696434
[(2E)-8-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] ethylsulfanylformate
CID 122495990
[(1R,2S)-2-hydroxycyclopentyl] carbamate
CID 175128754
[(1S,2S)-2-iodocyclopentyl] carbamate
CID 138651300
[(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate
CID 70403752
[(1R)-cyclohept-2-en-1-yl] acetate
CID 12858459
trans-(1R,2S)-1-propan-2-yl-2-propan-2-yloxycyclopentane
CID 153444670

Frequently Asked Questions

What is the IUPAC name of (8-propan-2-yloxycyclooct-2-en-1-yl) carbamate?
The IUPAC name of (8-propan-2-yloxycyclooct-2-en-1-yl) carbamate (CID 163799221) is (8-propan-2-yloxycyclooct-2-en-1-yl) carbamate.
What is the SMILES notation for (8-propan-2-yloxycyclooct-2-en-1-yl) carbamate?
The canonical SMILES for (8-propan-2-yloxycyclooct-2-en-1-yl) carbamate is CC(C)OC1CCCCC=CC1OC(N)=O.
What is the InChIKey of (8-propan-2-yloxycyclooct-2-en-1-yl) carbamate?
The InChIKey is NDNSOQXCJOMORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(2)15-10-7-5-3-4-6-8-11(10)16-12(13)14/h6,8-11H,3-5,7H2,1-2H3,(H2,13,14).
What are the key properties of (8-propan-2-yloxycyclooct-2-en-1-yl) carbamate?
(8-propan-2-yloxycyclooct-2-en-1-yl) carbamate has a molecular weight of 227.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-propan-2-yloxycyclooct-2-en-1-yl) carbamate is sourced from PubChem (CID 163799221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).