(Z)-dimethylamino-(2-hexylcyclopenta-2,4-dien-1-ylidene)methanol

C14H23NO — CID 178074583

IUPAC(Z)-dimethylamino-(2-hexylcyclopenta-2,4-dien-1-ylidene)methanol
SMILESCCCCCCC1=CC=C/C1=C(/O)N(C)C
InChIInChI=1S/C14H23NO/c1-4-5-6-7-9-12-10-8-11-13(12)14(16)15(2)3/h8,10-11,16H,4-7,9H2,1-3H3/b14-13-
InChIKeyKDTMRDWQXXXHIU-YPKPFQOOSA-N
MW221.34 g/mol
LogP3.78
Rot. Bonds6

About (Z)-dimethylamino-(2-hexylcyclopenta-2,4-dien-1-ylidene)methanol

(Z)-dimethylamino-(2-hexylcyclopenta-2,4-dien-1-ylidene)methanol (PubChem CID 178074583) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (Z)-dimethylamino-(2-hexylcyclopenta-2,4-dien-1-ylidene)methanol.

Molecular Properties

Compound Name(Z)-dimethylamino-(2-hexylcyclopenta-2,4-dien-1-ylidene)methanol
PubChem CID178074583
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(Z)-dimethylamino-(2-hexylcyclopenta-2,4-dien-1-ylidene)methanol
SMILESCCCCCCC1=CC=C/C1=C(/O)N(C)C
InChIInChI=1S/C14H23NO/c1-4-5-6-7-9-12-10-8-11-13(12)14(16)15(2)3/h8,10-11,16H,4-7,9H2,1-3H3/b14-13-
InChIKeyKDTMRDWQXXXHIU-YPKPFQOOSA-N
XLogP3.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-dimethylamino-(2-hexylcyclopenta-2,4-dien-1-ylidene)methanol?
The IUPAC name of (Z)-dimethylamino-(2-hexylcyclopenta-2,4-dien-1-ylidene)methanol (CID 178074583) is (Z)-dimethylamino-(2-hexylcyclopenta-2,4-dien-1-ylidene)methanol.
What is the SMILES notation for (Z)-dimethylamino-(2-hexylcyclopenta-2,4-dien-1-ylidene)methanol?
The canonical SMILES for (Z)-dimethylamino-(2-hexylcyclopenta-2,4-dien-1-ylidene)methanol is CCCCCCC1=CC=C/C1=C(/O)N(C)C.
What is the InChIKey of (Z)-dimethylamino-(2-hexylcyclopenta-2,4-dien-1-ylidene)methanol?
The InChIKey is KDTMRDWQXXXHIU-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-6-7-9-12-10-8-11-13(12)14(16)15(2)3/h8,10-11,16H,4-7,9H2,1-3H3/b14-13-.
What are the key properties of (Z)-dimethylamino-(2-hexylcyclopenta-2,4-dien-1-ylidene)methanol?
(Z)-dimethylamino-(2-hexylcyclopenta-2,4-dien-1-ylidene)methanol has a molecular weight of 221.34 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-dimethylamino-(2-hexylcyclopenta-2,4-dien-1-ylidene)methanol is sourced from PubChem (CID 178074583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).