henicosyl carbonochloridate

C22H43ClO2 — CID 14150828

IUPAChenicosyl carbonochloridate
SMILESCCCCCCCCCCCCCCCCCCCCCOC(=O)Cl
InChIInChI=1S/C22H43ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22(23)24/h2-21H2,1H3
InChIKeyBDPFIEQUHNWYAI-UHFFFAOYSA-N
MW375.04 g/mol
LogP8.79
Rot. Bonds20

About henicosyl carbonochloridate

henicosyl carbonochloridate (PubChem CID 14150828) has the molecular formula C22H43ClO2 and a molecular weight of 375.04 g/mol. Its IUPAC name is henicosyl carbonochloridate.

Molecular Properties

Compound Namehenicosyl carbonochloridate
PubChem CID14150828
Molecular FormulaC22H43ClO2
Molecular Weight375.04 g/mol
Exact Mass374.30
IUPAC Namehenicosyl carbonochloridate
SMILESCCCCCCCCCCCCCCCCCCCCCOC(=O)Cl
InChIInChI=1S/C22H43ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22(23)24/h2-21H2,1H3
InChIKeyBDPFIEQUHNWYAI-UHFFFAOYSA-N
XLogP8.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.04
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

nonadecyl carbonochloridate
CID 20513602
3-butoxypropyl carbonochloridate
CID 139806426
[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] carbonochloridate
CID 24749827
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
ditridecyl oxalate
CID 18377796
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
chloro hexyl carbonate
CID 90046740
tetradecyl 2-chloroprop-2-enoate
CID 54118378
heptaheptacontyl hydrogen carbonate
CID 162768324
octacosyl carbamate
CID 160925840

Frequently Asked Questions

What is the IUPAC name of henicosyl carbonochloridate?
The IUPAC name of henicosyl carbonochloridate (CID 14150828) is henicosyl carbonochloridate.
What is the SMILES notation for henicosyl carbonochloridate?
The canonical SMILES for henicosyl carbonochloridate is CCCCCCCCCCCCCCCCCCCCCOC(=O)Cl.
What is the InChIKey of henicosyl carbonochloridate?
The InChIKey is BDPFIEQUHNWYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22(23)24/h2-21H2,1H3.
What are the key properties of henicosyl carbonochloridate?
henicosyl carbonochloridate has a molecular weight of 375.04 g/mol, XLogP of 8.79, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for henicosyl carbonochloridate is sourced from PubChem (CID 14150828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).