(1-hydroxy-3,3-dimethylhept-6-en-2-yl) carbamate

C10H19NO3 — CID 175585299

IUPAC(1-hydroxy-3,3-dimethylhept-6-en-2-yl) carbamate
SMILESC=CCCC(C)(C)C(CO)OC(N)=O
InChIInChI=1S/C10H19NO3/c1-4-5-6-10(2,3)8(7-12)14-9(11)13/h4,8,12H,1,5-7H2,2-3H3,(H2,11,13)
InChIKeyLYYWPUOCGVIOSY-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.43
Rot. Bonds6

About (1-hydroxy-3,3-dimethylhept-6-en-2-yl) carbamate

(1-hydroxy-3,3-dimethylhept-6-en-2-yl) carbamate (PubChem CID 175585299) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (1-hydroxy-3,3-dimethylhept-6-en-2-yl) carbamate.

Molecular Properties

Compound Name(1-hydroxy-3,3-dimethylhept-6-en-2-yl) carbamate
PubChem CID175585299
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(1-hydroxy-3,3-dimethylhept-6-en-2-yl) carbamate
SMILESC=CCCC(C)(C)C(CO)OC(N)=O
InChIInChI=1S/C10H19NO3/c1-4-5-6-10(2,3)8(7-12)14-9(11)13/h4,8,12H,1,5-7H2,2-3H3,(H2,11,13)
InChIKeyLYYWPUOCGVIOSY-UHFFFAOYSA-N
XLogP1.43
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3,3-dimethylhept-6-en-2-yl) carbamate?
The IUPAC name of (1-hydroxy-3,3-dimethylhept-6-en-2-yl) carbamate (CID 175585299) is (1-hydroxy-3,3-dimethylhept-6-en-2-yl) carbamate.
What is the SMILES notation for (1-hydroxy-3,3-dimethylhept-6-en-2-yl) carbamate?
The canonical SMILES for (1-hydroxy-3,3-dimethylhept-6-en-2-yl) carbamate is C=CCCC(C)(C)C(CO)OC(N)=O.
What is the InChIKey of (1-hydroxy-3,3-dimethylhept-6-en-2-yl) carbamate?
The InChIKey is LYYWPUOCGVIOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-5-6-10(2,3)8(7-12)14-9(11)13/h4,8,12H,1,5-7H2,2-3H3,(H2,11,13).
What are the key properties of (1-hydroxy-3,3-dimethylhept-6-en-2-yl) carbamate?
(1-hydroxy-3,3-dimethylhept-6-en-2-yl) carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3,3-dimethylhept-6-en-2-yl) carbamate is sourced from PubChem (CID 175585299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).