2-methylhenicos-2-ene;dihydrobromide

C22H46Br2 — CID 175068359

IUPAC2-methylhenicos-2-ene;dihydrobromide
SMILESBr.Br.CCCCCCCCCCCCCCCCCCC=C(C)C
InChIInChI=1S/C22H44.2BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)3;;/h21H,4-20H2,1-3H3;2*1H
InChIKeyAAKVDCKDHVVTFS-UHFFFAOYSA-N
MW470.42 g/mol
LogP9.76
Rot. Bonds17

About 2-methylhenicos-2-ene;dihydrobromide

2-methylhenicos-2-ene;dihydrobromide (PubChem CID 175068359) has the molecular formula C22H46Br2 and a molecular weight of 470.42 g/mol. Its IUPAC name is 2-methylhenicos-2-ene;dihydrobromide.

Molecular Properties

Compound Name2-methylhenicos-2-ene;dihydrobromide
PubChem CID175068359
Molecular FormulaC22H46Br2
Molecular Weight470.42 g/mol
Exact Mass468.20
IUPAC Name2-methylhenicos-2-ene;dihydrobromide
SMILESBr.Br.CCCCCCCCCCCCCCCCCCC=C(C)C
InChIInChI=1S/C22H44.2BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)3;;/h21H,4-20H2,1-3H3;2*1H
InChIKeyAAKVDCKDHVVTFS-UHFFFAOYSA-N
XLogP9.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.42
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methyldec-2-ene;(E)-3-methyloct-3-ene
CID 158273122
2,6-dimethyltetradeca-2,6-diene
CID 57189781
(4E)-2,4-dimethylundeca-2,4-diene
CID 102247749
(7R,8S)-2-methyloctadec-2-ene-7,8-diol
CID 13420628
(Z)-3-methylheptadec-3-ene
CID 159647191
3-methylicos-3-ene
CID 91445266
(Z)-3-methylpentadec-3-ene
CID 14954714
3-methyloctadec-3-ene
CID 91073568
(E)-2-iodonon-2-ene
CID 10444893
undec-1-ene-1,1-diol
CID 87556705
7-methyloctadec-7-ene
CID 123477460
(E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene
CID 90470665

Frequently Asked Questions

What is the IUPAC name of 2-methylhenicos-2-ene;dihydrobromide?
The IUPAC name of 2-methylhenicos-2-ene;dihydrobromide (CID 175068359) is 2-methylhenicos-2-ene;dihydrobromide.
What is the SMILES notation for 2-methylhenicos-2-ene;dihydrobromide?
The canonical SMILES for 2-methylhenicos-2-ene;dihydrobromide is Br.Br.CCCCCCCCCCCCCCCCCCC=C(C)C.
What is the InChIKey of 2-methylhenicos-2-ene;dihydrobromide?
The InChIKey is AAKVDCKDHVVTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44.2BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)3;;/h21H,4-20H2,1-3H3;2*1H.
What are the key properties of 2-methylhenicos-2-ene;dihydrobromide?
2-methylhenicos-2-ene;dihydrobromide has a molecular weight of 470.42 g/mol, XLogP of 9.76, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhenicos-2-ene;dihydrobromide is sourced from PubChem (CID 175068359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).