[(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid

C14H25NO3 — CID 67095639

IUPAC[(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid
SMILESC=CC([C@H]1CC[C@@H](N(C)C(=O)O)CO1)C(C)(C)C
InChIInChI=1S/C14H25NO3/c1-6-11(14(2,3)4)12-8-7-10(9-18-12)15(5)13(16)17/h6,10-12H,1,7-9H2,2-5H3,(H,16,17)/t10-,11?,12-/m1/s1
InChIKeyIOKBYCVXGQBAFJ-IGBJHFKCSA-N
MW255.36 g/mol
LogP2.99
Rot. Bonds3

About [(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid

[(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid (PubChem CID 67095639) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is [(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid
PubChem CID67095639
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name[(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid
SMILESC=CC([C@H]1CC[C@@H](N(C)C(=O)O)CO1)C(C)(C)C
InChIInChI=1S/C14H25NO3/c1-6-11(14(2,3)4)12-8-7-10(9-18-12)15(5)13(16)17/h6,10-12H,1,7-9H2,2-5H3,(H,16,17)/t10-,11?,12-/m1/s1
InChIKeyIOKBYCVXGQBAFJ-IGBJHFKCSA-N
XLogP2.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid?
The IUPAC name of [(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid (CID 67095639) is [(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid.
What is the SMILES notation for [(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid?
The canonical SMILES for [(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid is C=CC([C@H]1CC[C@@H](N(C)C(=O)O)CO1)C(C)(C)C.
What is the InChIKey of [(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid?
The InChIKey is IOKBYCVXGQBAFJ-IGBJHFKCSA-N. The full InChI is InChI=1S/C14H25NO3/c1-6-11(14(2,3)4)12-8-7-10(9-18-12)15(5)13(16)17/h6,10-12H,1,7-9H2,2-5H3,(H,16,17)/t10-,11?,12-/m1/s1.
What are the key properties of [(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid?
[(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid has a molecular weight of 255.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid is sourced from PubChem (CID 67095639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).