henicos-1-en-2-ol

C21H42O — CID 90735098

IUPAChenicos-1-en-2-ol
SMILESC=C(O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C21H42O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22/h22H,2-20H2,1H3
InChIKeyCBTSDMCRFXOUBC-UHFFFAOYSA-N
MW310.57 g/mol
LogP8.10
Rot. Bonds18

About henicos-1-en-2-ol

henicos-1-en-2-ol (PubChem CID 90735098) has the molecular formula C21H42O and a molecular weight of 310.57 g/mol. Its IUPAC name is henicos-1-en-2-ol.

Molecular Properties

Compound Namehenicos-1-en-2-ol
PubChem CID90735098
Molecular FormulaC21H42O
Molecular Weight310.57 g/mol
Exact Mass310.32
IUPAC Namehenicos-1-en-2-ol
SMILESC=C(O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C21H42O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22/h22H,2-20H2,1H3
InChIKeyCBTSDMCRFXOUBC-UHFFFAOYSA-N
XLogP8.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 58.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Related Compounds

6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
19-methylideneheptatriacontane;titanium
CID 174477367
2-methyltetradec-1-ene
CID 521375
2-bromotetradec-1-ene
CID 2757183
4-methylidenenonadecane
CID 139983203
4-methylidenetricosane
CID 139983205
ethane;2-methyloct-1-ene
CID 143077596
3-methylidenedecane
CID 21453024
2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
dodecanoic acid;bis(2-methylprop-1-ene)
CID 160518474
5-decylpentadec-1-en-2-ol
CID 177206420

Frequently Asked Questions

What is the IUPAC name of henicos-1-en-2-ol?
The IUPAC name of henicos-1-en-2-ol (CID 90735098) is henicos-1-en-2-ol.
What is the SMILES notation for henicos-1-en-2-ol?
The canonical SMILES for henicos-1-en-2-ol is C=C(O)CCCCCCCCCCCCCCCCCCC.
What is the InChIKey of henicos-1-en-2-ol?
The InChIKey is CBTSDMCRFXOUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22/h22H,2-20H2,1H3.
What are the key properties of henicos-1-en-2-ol?
henicos-1-en-2-ol has a molecular weight of 310.57 g/mol, XLogP of 8.10, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for henicos-1-en-2-ol is sourced from PubChem (CID 90735098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).