1,2-diisocyanodecylcyclohexane

C18H30N2 — CID 150165394

IUPAC1,2-diisocyanodecylcyclohexane
SMILES[C-]#[N+]C(CCCCCCCC)C([N+]#[C-])C1CCCCC1
InChIInChI=1S/C18H30N2/c1-4-5-6-7-8-12-15-17(19-2)18(20-3)16-13-10-9-11-14-16/h16-18H,4-15H2,1H3
InChIKeyFIHJCQRMPTYIIT-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.89
Rot. Bonds9

About 1,2-diisocyanodecylcyclohexane

1,2-diisocyanodecylcyclohexane (PubChem CID 150165394) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1,2-diisocyanodecylcyclohexane.

Molecular Properties

Compound Name1,2-diisocyanodecylcyclohexane
PubChem CID150165394
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1,2-diisocyanodecylcyclohexane
SMILES[C-]#[N+]C(CCCCCCCC)C([N+]#[C-])C1CCCCC1
InChIInChI=1S/C18H30N2/c1-4-5-6-7-8-12-15-17(19-2)18(20-3)16-13-10-9-11-14-16/h16-18H,4-15H2,1H3
InChIKeyFIHJCQRMPTYIIT-UHFFFAOYSA-N
XLogP5.89
TPSA8.72 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-cyclooctylundecan-1-ol
CID 80603651
1-cyclohexylheptylcyclohexane
CID 16404
1-cycloheptyldecylcycloheptane
CID 20559033
hexadecan-8-ylcyclohexane
CID 91510029
undecan-5-ylcyclohexane
CID 524419
1-cycloheptylheptan-1-amine
CID 65399314
1-cyclohexyldodecane-1,2-diol
CID 103459050
nonan-3-ylcyclopentane
CID 19893531
2-cyclopentyl-N-methyldodecan-1-amine
CID 112569791
tris(1-cyclohexylhexadecyl) phosphate
CID 88626297
2-methyloctan-3-ylcycloheptane
CID 123273196
1-(dimethoxymethoxy)nonylcyclohexane
CID 151905093

Frequently Asked Questions

What is the IUPAC name of 1,2-diisocyanodecylcyclohexane?
The IUPAC name of 1,2-diisocyanodecylcyclohexane (CID 150165394) is 1,2-diisocyanodecylcyclohexane.
What is the SMILES notation for 1,2-diisocyanodecylcyclohexane?
The canonical SMILES for 1,2-diisocyanodecylcyclohexane is [C-]#[N+]C(CCCCCCCC)C([N+]#[C-])C1CCCCC1.
What is the InChIKey of 1,2-diisocyanodecylcyclohexane?
The InChIKey is FIHJCQRMPTYIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-5-6-7-8-12-15-17(19-2)18(20-3)16-13-10-9-11-14-16/h16-18H,4-15H2,1H3.
What are the key properties of 1,2-diisocyanodecylcyclohexane?
1,2-diisocyanodecylcyclohexane has a molecular weight of 274.45 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diisocyanodecylcyclohexane is sourced from PubChem (CID 150165394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).