[(E)-2-methylhex-1-enyl]carbamic acid

C8H15NO2 — CID 20500808

IUPAC[(E)-2-methylhex-1-enyl]carbamic acid
SMILESCCCC/C(C)=C/NC(=O)O
InChIInChI=1S/C8H15NO2/c1-3-4-5-7(2)6-9-8(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/b7-6+
InChIKeyJCQHFMOMTRYSGM-VOTSOKGWSA-N
MW157.21 g/mol
LogP2.35
Rot. Bonds4

About [(E)-2-methylhex-1-enyl]carbamic acid

[(E)-2-methylhex-1-enyl]carbamic acid (PubChem CID 20500808) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [(E)-2-methylhex-1-enyl]carbamic acid.

Molecular Properties

Compound Name[(E)-2-methylhex-1-enyl]carbamic acid
PubChem CID20500808
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[(E)-2-methylhex-1-enyl]carbamic acid
SMILESCCCC/C(C)=C/NC(=O)O
InChIInChI=1S/C8H15NO2/c1-3-4-5-7(2)6-9-8(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/b7-6+
InChIKeyJCQHFMOMTRYSGM-VOTSOKGWSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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4-methyloct-3-ene
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methyl (Z)-3-methyloct-2-enoate
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pentanoic acid;stannane
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lanthanum;pentanoic acid
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CID 159436476
CID 159436476
pentanoic acid;silver
CID 87285302
ethane;pentanoic acid
CID 142198531
(E)-4-methyldodec-3-en-2-one
CID 19609505

Frequently Asked Questions

What is the IUPAC name of [(E)-2-methylhex-1-enyl]carbamic acid?
The IUPAC name of [(E)-2-methylhex-1-enyl]carbamic acid (CID 20500808) is [(E)-2-methylhex-1-enyl]carbamic acid.
What is the SMILES notation for [(E)-2-methylhex-1-enyl]carbamic acid?
The canonical SMILES for [(E)-2-methylhex-1-enyl]carbamic acid is CCCC/C(C)=C/NC(=O)O.
What is the InChIKey of [(E)-2-methylhex-1-enyl]carbamic acid?
The InChIKey is JCQHFMOMTRYSGM-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-4-5-7(2)6-9-8(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/b7-6+.
What are the key properties of [(E)-2-methylhex-1-enyl]carbamic acid?
[(E)-2-methylhex-1-enyl]carbamic acid has a molecular weight of 157.21 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methylhex-1-enyl]carbamic acid is sourced from PubChem (CID 20500808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).