2,2-dimethylhept-6-en-3-ylcarbamic acid

C10H19NO2 — CID 175244688

IUPAC2,2-dimethylhept-6-en-3-ylcarbamic acid
SMILESC=CCCC(NC(=O)O)C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-6-7-8(10(2,3)4)11-9(12)13/h5,8,11H,1,6-7H2,2-4H3,(H,12,13)
InChIKeyMUIVKFSGOVUSDO-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.63
Rot. Bonds4

About 2,2-dimethylhept-6-en-3-ylcarbamic acid

2,2-dimethylhept-6-en-3-ylcarbamic acid (PubChem CID 175244688) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2,2-dimethylhept-6-en-3-ylcarbamic acid.

Molecular Properties

Compound Name2,2-dimethylhept-6-en-3-ylcarbamic acid
PubChem CID175244688
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2,2-dimethylhept-6-en-3-ylcarbamic acid
SMILESC=CCCC(NC(=O)O)C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-6-7-8(10(2,3)4)11-9(12)13/h5,8,11H,1,6-7H2,2-4H3,(H,12,13)
InChIKeyMUIVKFSGOVUSDO-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid
CID 87203972
2,2-dimethylheptan-3-ylcarbamic acid
CID 175434707
(2R)-3,3-dimethyl-2-(pent-4-enoylamino)butanoic acid
CID 103926333
(6-amino-6-hydroxyimino-2,2-dimethylhexan-3-yl)carbamic acid
CID 173464238
non-8-en-2-ylcarbamic acid
CID 175945835
(2S)-2-ethenylhex-5-enoic acid
CID 91757260
(2R)-2-ethenylhex-5-enoic acid
CID 91757207
benzene;2-but-3-enylpropanedioic acid
CID 174917168
(2S)-2-(hex-5-enylamino)-3,3-dimethylbutanoic acid
CID 58005101
2-[(2S)-hex-5-en-2-yl]propanedioic acid
CID 172869361
(3S)-3-methylhept-6-enoic acid
CID 11815469
ethyl (3S)-2,2-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-enoate
CID 71742325

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylhept-6-en-3-ylcarbamic acid?
The IUPAC name of 2,2-dimethylhept-6-en-3-ylcarbamic acid (CID 175244688) is 2,2-dimethylhept-6-en-3-ylcarbamic acid.
What is the SMILES notation for 2,2-dimethylhept-6-en-3-ylcarbamic acid?
The canonical SMILES for 2,2-dimethylhept-6-en-3-ylcarbamic acid is C=CCCC(NC(=O)O)C(C)(C)C.
What is the InChIKey of 2,2-dimethylhept-6-en-3-ylcarbamic acid?
The InChIKey is MUIVKFSGOVUSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-6-7-8(10(2,3)4)11-9(12)13/h5,8,11H,1,6-7H2,2-4H3,(H,12,13).
What are the key properties of 2,2-dimethylhept-6-en-3-ylcarbamic acid?
2,2-dimethylhept-6-en-3-ylcarbamic acid has a molecular weight of 185.27 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylhept-6-en-3-ylcarbamic acid is sourced from PubChem (CID 175244688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).